In [1]:
%matplotlib inline
from matplotlib import pyplot as plt
from pycalphad import Database, equilibrium, variables as v
from time import time
import xarray as xr
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/matplotlib/font_manager.py:273: UserWarning: Matplotlib is building the font cache using fc-list. This may take a moment.
warnings.warn('Matplotlib is building the font cache using fc-list. This may take a moment.')
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/matplotlib/font_manager.py:273: UserWarning: Matplotlib is building the font cache using fc-list. This may take a moment.
warnings.warn('Matplotlib is building the font cache using fc-list. This may take a moment.')
In [2]:
dbfile = '/Users/brandon/Box Sync/databases/nims-databases/Cr-Ti-V.tdb'
dbf = Database(dbfile)
comps = ['CR', 'TI', 'V', 'VA']
phases = list(dbf.phases.keys())
In [3]:
conditions = {v.P:101325, v.T: 873, v.X('TI'): (0, 1, 0.01), v.X('V'): (0, 1, 0.01)}
start = time()
eq = equilibrium(dbf, comps, phases, conditions)
print('Walltime: {}'.format(time()-start))
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py:13: UserWarning: `dask.async.get_sync` has been moved to `dask.local.get_sync`, please update your imports
warnings.warn(_msg.format('get_sync'))
/Users/brandon/Projects/pycalphad/pycalphad/core/utils.py:146: RuntimeWarning: divide by zero encountered in log
pts = -np.log(pts)
/Users/brandon/Projects/pycalphad/pycalphad/core/utils.py:150: RuntimeWarning: invalid value encountered in true_divide
pts[:, cur_idx:end_idx] /= pts[:, cur_idx:end_idx].sum(axis=1)[:, None]
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.7000000000000001)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.64)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.65)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.58)), ('X_V', array(0.02))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.79)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.56)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.36)), ('X_V', array(0.64))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.58)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.62)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.49)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.81)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.8200000000000001)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.42)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.21)), ('X_V', array(0.79))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.45)), ('X_V', array(0.55))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.43)), ('X_V', array(0.5700000000000001))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.46)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.51)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.52)), ('X_V', array(0.48))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.38)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.39)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.6)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.77)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.5)), ('X_V', array(0.5))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.4)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.41000000000000003)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.27)), ('X_V', array(0.73))])
Walltime: 980.9230420589447
In [13]:
eq.attrs['created'] = '2017-07-31 18:43:57.493555'
eq.to_netcdf('Cr-Ti-V_equil.nc')
In [3]:
eq = xr.open_dataset('Cr-Ti-V_equil.nc')
eq
from pycalphad.plot.eqplot import eqplot
eqplot(eq, x=v.X('V'), y=v.X('TI'))
Out[3]:
<matplotlib.axes._subplots.TriangularAxesSubplot at 0x1109d7518>
In [22]:
import numpy as np
print(np.sum(np.ravel(eq.GM.values < 0)))
print(np.ravel(eq.GM.values).shape)
5147
(10000,)
/Users/brandon/anaconda3/envs/pycalphad_ipopt/lib/python3.6/site-packages/ipykernel_launcher.py:2: RuntimeWarning: invalid value encountered in less
In [56]:
idx = np.nonzero(~(eq.GM.values < 0))
p = eq.X_TI.values[idx[0]]
t = eq.X_TI.values[idx[1]]
xti = eq.X_TI.values[idx[2]]
xv = eq.X_V.values[idx[3]]
/Users/brandon/anaconda3/envs/pycalphad_ipopt/lib/python3.6/site-packages/ipykernel_launcher.py:1: RuntimeWarning: invalid value encountered in less
"""Entry point for launching an IPython kernel.
In [68]:
#import pandas as pd
#df = pd.DataFrame({'P': p, 'T': t, 'X_TI': xti, 'X_V': xv, x})
np.nonzero((xti+xv) <= 1)
xv[1]
Out[68]:
1.0000000000000001e-09
In [3]:
start = time()
fig = plt.figure(figsize=(10,10))
equilibrium(dbf, comps, phases, conditions, x=v.X('V'), y=v.X('TI'))
print('Walltime: {}'.format(time()-start))
/Users/brandon/Projects/pycalphad/pycalphad/core/utils.py:146: RuntimeWarning: divide by zero encountered in log
pts = -np.log(pts)
/Users/brandon/Projects/pycalphad/pycalphad/core/utils.py:150: RuntimeWarning: invalid value encountered in true_divide
pts[:, cur_idx:end_idx] /= pts[:, cur_idx:end_idx].sum(axis=1)[:, None]
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.45)), ('X_V', array(0.55))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.36)), ('X_V', array(0.64))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.38)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.39)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.5)), ('X_V', array(0.5))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.72)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.4)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.41000000000000003)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.65)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.43)), ('X_V', array(0.5700000000000001))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.52)), ('X_V', array(0.48))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.42)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.27)), ('X_V', array(0.73))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.59)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.78)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.79)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.21)), ('X_V', array(0.79))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.62)), ('X_V', array(0.01))])
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.67)), ('X_V', array(0.01))])
Walltime: 336.1535530090332
In [5]:
start = time()
fig = plt.figure(figsize=(10,10))
equilibrium(dbf, comps, phases, conditions, x=v.X('V'), y=v.X('TI'), verbose=True)
print('Walltime: {}'.format(time()-start))
Calculation Backend: Compiled (autowrap)
Components: CR TI V VA
Phases: BCC_A2 HCP_A3 LAVES_C14 LAVES_C15 LAVES_C36 LIQUID [done]
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.2786109531063917), CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=0.7213890468936084)])
('reduced_hessian eigenvalues', array([ 2.80056965e+03, 6.77942253e+03, 1.53156858e+14,
4.61407628e+14, 5.85075070e+14]))
('NEW_L_MULTIPLIERS', array([ -2721.86000396, -7969.82204001, 5969.12481136, -17646.92697759,
-40817.87659089, -39159.38227928, -42672.06800983]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 0.00000000e+00,
0.00000000e+00, -6.44094457e-02, 1.35554520e-01,
-7.11450745e-02]))
('penalty', 10000)
('old_driving_force', -38502.295577732453, 0.13555452021137904)
('sublsum', -26.68214312557852)
(1.0, -41007.648799075359, 0.011628980642725745)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60714707 0.33333333 0.05951959], NP=0.3405848742246903), CompositionSet(BCC_A2, [ 0.28939079 0.14876924 0.56183996], NP=0.6594151257753095)])
('step', array([ 2.18317189e-02, 4.24033239e-11, -2.18317190e-02,
2.71091830e-11, -6.49276986e-11, 3.78187273e-11,
5.30581680e-02, -1.87643132e-01, 1.34584964e-01,
0.00000000e+00, 6.19739211e-02, -6.19739211e-02]))
('conv_angle', 89.832079539490508)
('Site fractions', array([ 9.10720608e-01, 4.34033239e-11, 8.92793921e-02,
2.81091830e-11, 1.00000000e+00, 3.88187273e-11,
2.89390793e-01, 1.48769243e-01, 5.61839964e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.34058487, 0.65941513]))
('Chemical potentials', array([-40817.87659089, -39159.38227928, -42672.06800983]))
('Chem pot progress', array([ 9.64450298, -74.09787002, 21.76934685]))
('Energy progress', 21.796287389923236)
('Driving force', -12.374115786282346)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60714707 0.33333333 0.05951959], NP=0.3405848742246903), CompositionSet(BCC_A2, [ 0.28939079 0.14876924 0.56183996], NP=0.6594151257753095)])
('reduced_hessian eigenvalues', array([ 2.97709205e+03, 9.82732965e+03, 7.88059309e+12,
2.27962787e+13, 2.51164931e+13]))
('NEW_L_MULTIPLIERS', array([ -2555.91352878, -7514.75740239, 5288.80535892, -18632.31319575,
-40857.33942579, -39045.63457854, -42735.96384099]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 1.30503641e-18, 0.00000000e+00,
0.00000000e+00, -2.38622457e-03, 1.16289806e-02,
-9.24275607e-03]))
('penalty', 10000)
('old_driving_force', -41009.656309653234, 0.011628980642725745)
('sublsum', -2.9212939440785295)
(1.0, -41236.563605522097, 0.00035312066247805696)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60409144 0.33333333 0.06257523], NP=0.3207554237762755), CompositionSet(BCC_A2, [ 0.30414305 0.13668402 0.55917293], NP=0.6792445762237245)])
('step', array([ -4.58345228e-03, 8.29411838e-10, 4.58345145e-03,
3.18197500e-10, -9.67563881e-10, 6.49366382e-10,
1.47522548e-02, -1.20852191e-02, -2.66703570e-03,
0.00000000e+00, -1.98294504e-02, 1.98294504e-02]))
('conv_angle', 89.8736750179213)
('Site fractions', array([ 9.06137156e-01, 8.72815162e-10, 9.38628436e-02,
3.46306683e-10, 9.99999999e-01, 6.88185109e-10,
3.04143048e-01, 1.36684024e-01, 5.59172928e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32075542, 0.67924458]))
('Chemical potentials', array([-40857.33942579, -39045.63457854, -42735.96384099]))
('Chem pot progress', array([ -39.4628349 , 113.74770074, -63.89583117]))
('Energy progress', -40.043025513979956)
('Driving force', 2.8222036489169113)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60409144 0.33333333 0.06257523], NP=0.3207554237762755), CompositionSet(BCC_A2, [ 0.30414305 0.13668402 0.55917293], NP=0.6792445762237245)])
('reduced_hessian eigenvalues', array([ 2.90083279e+03, 8.89103124e+03, 4.65094653e+11,
1.08602511e+12, 1.73796782e+12]))
('NEW_L_MULTIPLIERS', array([ -2555.64715653, -7506.4200089 , 5283.15832022, -18640.28553008,
-40852.03431286, -39054.5211479 , -42729.80068307]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -6.63491791e-17, 1.11022302e-16,
0.00000000e+00, 3.53120662e-04, -2.39643257e-04,
-1.13477406e-04]))
('penalty', 10000)
('old_driving_force', -41236.566909094341, 0.00035312066247805696)
('sublsum', -0.0047561442254711707)
(1.0, -41243.629480018397, 1.2145772582128345e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60379537 0.33333334 0.06287129], NP=0.3204921307018063), CompositionSet(BCC_A2, [ 0.30387925 0.13711306 0.55900769], NP=0.6795078692981936)])
('step', array([ -4.44105688e-04, 1.50786788e-08, 4.44090609e-04,
3.29370706e-09, -1.35361622e-08, 1.02424552e-08,
-2.63793753e-04, 4.29032327e-04, -1.65238574e-04,
0.00000000e+00, -2.63293074e-04, 2.63293074e-04]))
('conv_angle', 89.989980334302643)
('Site fractions', array([ 9.05693050e-01, 1.59514940e-08, 9.43069342e-02,
3.64001375e-09, 9.99999985e-01, 1.09306403e-08,
3.03879254e-01, 1.37113056e-01, 5.59007689e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32049213, 0.67950787]))
('Chemical potentials', array([-40852.03431286, -39054.5211479 , -42729.80068307]))
('Chem pot progress', array([ 5.30511293, -8.88656936, 6.16315793]))
('Energy progress', 0.21552214024268324)
('Driving force', 0.0063187783380271867)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60379537 0.33333334 0.06287129], NP=0.3204921307018063), CompositionSet(BCC_A2, [ 0.30387925 0.13711306 0.55900769], NP=0.6795078692981936)])
('reduced_hessian eigenvalues', array([ 2.90145517e+03, 8.84961673e+03, 3.13040945e+10,
5.94163698e+10, 1.54346665e+11]))
('NEW_L_MULTIPLIERS', array([ -2555.66681906, -7506.48681962, 5283.10577871, -18640.21275983,
-40852.05612406, -39054.5324103 , -42729.77372138]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 4.00822046e-17, -1.11022302e-16,
0.00000000e+00, 8.49794413e-09, 1.12959782e-07,
-1.21457726e-07]))
('penalty', 10000)
('old_driving_force', -41243.629480013667, 1.2145772582128345e-07)
('sublsum', -0.0065110817697031954)
(1.0, -41243.637523780737, 3.8579139882699565e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6037938 0.33333344 0.06287276], NP=0.3204952830471572), CompositionSet(BCC_A2, [ 0.30387859 0.13711193 0.55900948], NP=0.6795047169528428)])
('step', array([ -2.35786646e-06, 2.29457104e-07, 2.12840936e-06,
2.60860301e-08, -1.58678947e-07, 1.32592917e-07,
-6.66568884e-07, -1.12373713e-06, 1.79030602e-06,
0.00000000e+00, 3.15234535e-06, -3.15234535e-06]))
('conv_angle', 87.459604507480748)
('Site fractions', array([ 9.05690692e-01, 2.45408598e-07, 9.43090626e-02,
2.97260438e-08, 9.99999827e-01, 1.43523558e-07,
3.03878588e-01, 1.37111933e-01, 5.59009480e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32049528, 0.67950472]))
('Chemical potentials', array([-40852.05612406, -39054.5324103 , -42729.77372138]))
('Chem pot progress', array([-0.0218112 , -0.0112624 , 0.02696168]))
('Energy progress', -0.006045792040822562)
('Driving force', 0.00089638160716276616)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6037938 0.33333344 0.06287276], NP=0.3204952830471572), CompositionSet(BCC_A2, [ 0.30387859 0.13711193 0.55900948], NP=0.6795047169528428)])
('reduced_hessian eigenvalues', array([ 2.90196002e+03, 8.84901203e+03, 2.48833829e+09,
3.86567106e+09, 1.80917909e+10]))
('NEW_L_MULTIPLIERS', array([ -2555.79849312, -7507.02730552, 5282.7853821 , -18639.63346492,
-40852.34374508, -39054.62094578, -42729.59565447]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 2.08899501e-19, 1.11022302e-16,
0.00000000e+00, -2.82651680e-12, 3.85791399e-12,
-1.03134168e-12]))
('penalty', 10000)
('old_driving_force', -41243.637523780737, 3.8579139882699565e-12)
('sublsum', -0.062425045715592035)
(1.0, -41243.690318845831, 2.765688233985486e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60378744 0.33333484 0.06287772], NP=0.32052037722497084), CompositionSet(BCC_A2, [ 0.30387051 0.13710403 0.55902546], NP=0.6794796227750292)])
('step', array([ -9.61550758e-06, 2.85953261e-06, 6.75597497e-06,
1.50616271e-07, -1.52215411e-06, 1.37153784e-06,
-8.07607395e-06, -7.90632427e-06, 1.59823982e-05,
0.00000000e+00, 2.50941778e-05, -2.50941778e-05]))
('conv_angle', 85.756029350500384)
('Site fractions', array([ 9.05681076e-01, 3.10494120e-06, 9.43158186e-02,
1.80342314e-07, 9.99998305e-01, 1.51506139e-06,
3.03870512e-01, 1.37104026e-01, 5.59025462e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32052038, 0.67947962]))
('Chemical potentials', array([-40852.34374508, -39054.62094578, -42729.59565447]))
('Chem pot progress', array([-0.28762101, -0.08853548, 0.17806692]))
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('penalty', 10000)
('old_driving_force', -41294.300701987428, 4.5304870965878763e-12)
('sublsum', -1.7603964590386409e-14)
(1.0, -41294.300702078013, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57655326 0.35378625 0.06966049], NP=0.3481887299733276), CompositionSet(BCC_A2, [ 0.30568765 0.11784947 0.57646288], NP=0.6518112700266724)])
('step', array([ 9.70086925e-11, 8.54410186e-11, -1.82449725e-10,
-1.44329281e-13, 4.63588377e-11, -4.62145644e-11,
-5.20793842e-10, -4.50528427e-10, 9.71322269e-10,
0.00000000e+00, 1.15344037e-09, -1.15344036e-09]))
('conv_angle', 83.933979963200244)
('Site fractions', array([ 8.64827248e-01, 3.21325114e-02, 1.03040241e-01,
5.28743725e-06, 9.97093722e-01, 2.90099094e-03,
3.05687645e-01, 1.17849474e-01, 5.76462880e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.34818873, 0.65181127]))
('Chemical potentials', array([-41016.0540703 , -39237.32905353, -42601.03315813]))
('Chem pot progress', array([ 2.13256135e-06, -4.01894795e-07, -1.10782275e-06]))
('Energy progress', 5.260517355054617e-09)
('Driving force', 2.1827872842550278e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.30568766 0.11784945 0.57646289], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.30568765 0.11784947 0.57646288], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.30568765 0.11784947 0.57646288], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.30568766 0.11784943 0.5764629 ], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.30568765 0.11784947 0.57646288], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.30568766 0.11784947 0.57646287], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.30568765 0.11784947 0.57646288], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.30568765 0.11784947 0.57646288], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.30568765 0.11784947 0.57646288], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.30568766 0.11784945 0.5764629 ], NP=1.0), -1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57655326 0.35378625 0.06966049], NP=1.0), -1.4551915228366852e-11), (CompositionSet(LAVES_C15, [ 0.57655326 0.35378625 0.06966049], NP=1.0), 0.0)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.2504258174828775), CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=0.7495741825171226)])
('reduced_hessian eigenvalues', array([ 2.76598373e+03, 6.09300845e+03, 1.38252063e+14,
4.15934535e+14, 5.33931083e+14]))
('NEW_L_MULTIPLIERS', array([ -2511.72612343, -7356.29142724, 6220.59031536, -18331.95852645,
-40820.49156376, -39155.925086 , -42672.74620801]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 0.00000000e+00,
0.00000000e+00, -6.44506812e-02, 1.35641303e-01,
-7.11906222e-02]))
('penalty', 10000)
('old_driving_force', -38519.901012909402, 0.13564130341618713)
('sublsum', -25.811580751706252)
(1.0, -41027.801782285707, 0.011550639852938749)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60752168 0.33333333 0.05914498], NP=0.31434914142329434), CompositionSet(BCC_A2, [ 0.28694634 0.15571714 0.55733652], NP=0.6856508585767055)])
('step', array([ 2.23936351e-02, 4.35434674e-11, -2.23936352e-02,
2.78357337e-11, -6.66684555e-11, 3.88329265e-11,
5.06137100e-02, -1.80695232e-01, 1.30081522e-01,
0.00000000e+00, 6.39233239e-02, -6.39233239e-02]))
('conv_angle', 89.813383403250015)
('Site fractions', array([ 9.11282524e-01, 4.45434674e-11, 8.87174759e-02,
2.88357337e-11, 1.00000000e+00, 3.98329265e-11,
2.86946335e-01, 1.55717143e-01, 5.57336522e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.31434914, 0.68565086]))
('Chemical potentials', array([-40820.49156376, -39155.925086 , -42672.74620801]))
('Chem pot progress', array([ 7.02953012, -70.64067674, 21.09114867]))
('Energy progress', 21.84523942964006)
('Driving force', -11.811906996081234)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60752168 0.33333333 0.05914498], NP=0.31434914142329434), CompositionSet(BCC_A2, [ 0.28694634 0.15571714 0.55733652], NP=0.6856508585767055)])
('reduced_hessian eigenvalues', array([ 2.91385683e+03, 9.20801406e+03, 7.13192233e+12,
2.09224540e+13, 2.26719356e+13]))
('NEW_L_MULTIPLIERS', array([ -2355.47074605, -6937.85676372, 5562.70384424, -19260.22874557,
-40874.35469435, -39015.51302933, -42734.59069237]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 1.17133773e-17, 0.00000000e+00,
0.00000000e+00, -2.28107952e-03, 1.15506399e-02,
-9.26956033e-03]))
('penalty', 10000)
('old_driving_force', -41030.119768646488, 0.011550639852938749)
('sublsum', -2.4716457064044177)
(1.0, -41256.054061011098, 0.00031249908839681151)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60398674 0.33333333 0.06267992], NP=0.2960221078455548), CompositionSet(BCC_A2, [ 0.30046266 0.14361847 0.55591886], NP=0.7039778921544451)])
('step', array([ -5.30240888e-03, 8.50345727e-10, 5.30240803e-03,
3.25584166e-10, -9.90783671e-10, 6.65199499e-10,
1.35163249e-02, -1.20986679e-02, -1.41765697e-03,
0.00000000e+00, -1.83270336e-02, 1.83270336e-02]))
('conv_angle', 89.876624060452684)
('Site fractions', array([ 9.05980115e-01, 8.94889194e-10, 9.40198840e-02,
3.54419899e-10, 9.99999999e-01, 7.05032425e-10,
3.00462660e-01, 1.43618475e-01, 5.55918865e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.29602211, 0.70397789]))
('Chemical potentials', array([-40874.35469435, -39015.51302933, -42734.59069237]))
('Chem pot progress', array([ -53.8631306 , 140.41205667, -61.84448436]))
('Energy progress', -40.12917657595244)
('Driving force', 2.9790777564121527)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60398674 0.33333333 0.06267992], NP=0.2960221078455548), CompositionSet(BCC_A2, [ 0.30046266 0.14361847 0.55591886], NP=0.7039778921544451)])
('reduced_hessian eigenvalues', array([ 2.83896934e+03, 8.25738435e+03, 4.21070828e+11,
9.94030854e+11, 1.57209385e+12]))
('NEW_L_MULTIPLIERS', array([ -2356.19714619, -6932.38415427, 5555.55044267, -19265.50547824,
-40869.35566936, -39023.45133504, -42728.23515526]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 5.92014325e-17, 0.00000000e+00,
0.00000000e+00, 3.12499088e-04, -2.21732697e-04,
-9.07663910e-05]))
('penalty', 10000)
('old_driving_force', -41256.056806514629, 0.00031249908839681151)
('sublsum', -0.0054219788610582517)
(1.0, -41262.308379439208, 6.5957493355917052e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60363346 0.33333334 0.0630332 ], NP=0.2958820736315698), CompositionSet(BCC_A2, [ 0.30022769 0.14397118 0.55580113], NP=0.7041179263684302)])
('step', array([ -5.29925082e-04, 1.54493224e-08, 5.29909632e-04,
3.36244070e-09, -1.38402770e-08, 1.04778363e-08,
-2.34973246e-04, 3.52706510e-04, -1.17733263e-04,
0.00000000e+00, -1.40034214e-04, 1.40034214e-04]))
('conv_angle', 89.987453471382693)
('Site fractions', array([ 9.05450190e-01, 1.63442116e-08, 9.45497936e-02,
3.71686060e-09, 9.99999985e-01, 1.11828687e-08,
3.00227687e-01, 1.43971181e-01, 5.55801132e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.29588207, 0.70411793]))
('Chemical potentials', array([-40869.35566936, -39023.45133504, -42728.23515526]))
('Chem pot progress', array([ 4.999025 , -7.93830571, 6.35553711]))
('Energy progress', 0.23787703498237533)
('Driving force', 0.0056931253639049828)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60363346 0.33333334 0.0630332 ], NP=0.2958820736315698), CompositionSet(BCC_A2, [ 0.30022769 0.14397118 0.55580113], NP=0.7041179263684302)])
('reduced_hessian eigenvalues', array([ 2.84036557e+03, 8.21387709e+03, 2.83893085e+10,
5.44224689e+10, 1.40002386e+11]))
('NEW_L_MULTIPLIERS', array([ -2356.21879634, -6932.44890993, 5555.50228914, -19265.43507929,
-40869.37437573, -39023.46284709, -42728.21283394]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -5.74959910e-17, 0.00000000e+00,
0.00000000e+00, 1.65673108e-08, 4.93901826e-08,
-6.59574934e-08]))
('penalty', 10000)
('old_driving_force', -41262.308379436858, 6.5957493355917052e-08)
('sublsum', -0.0061392807443490056)
(1.0, -41262.314991994936, 3.3398839249798584e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60363178 0.33333344 0.06303478], NP=0.2958852191860342), CompositionSet(BCC_A2, [ 0.30022701 0.14397022 0.55580276], NP=0.7041147808139657)])
('step', array([ -2.53649669e-06, 2.34823138e-07, 2.30167356e-06,
2.65444420e-08, -1.61910731e-07, 1.35366289e-07,
-6.72087381e-07, -9.59200557e-07, 1.63128794e-06,
0.00000000e+00, 3.14555446e-06, -3.14555446e-06]))
('conv_angle', 87.426592337985099)
('Site fractions', array([ 9.05447654e-01, 2.51167349e-07, 9.45520953e-02,
3.02613026e-08, 9.99999823e-01, 1.46549158e-07,
3.00227015e-01, 1.43970222e-01, 5.55802763e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.29588522, 0.70411478]))
('Chemical potentials', array([-40869.37437573, -39023.46284709, -42728.21283394]))
('Chem pot progress', array([-0.01870638, -0.01151205, 0.02232132]))
('Energy progress', -0.005507242778548971)
('Driving force', 0.00084580935072153807)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60363178 0.33333344 0.06303478], NP=0.2958852191860342), CompositionSet(BCC_A2, [ 0.30022701 0.14397022 0.55580276], NP=0.7041147808139657)])
('reduced_hessian eigenvalues', array([ 2.83904399e+03, 8.21350386e+03, 2.26145645e+09,
3.54355069e+09, 1.64631763e+10]))
('NEW_L_MULTIPLIERS', array([ -2356.36352895, -6933.02450977, 5555.16883427, -19264.82364072,
-40869.67491404, -39023.54041448, -42728.03040038]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -2.23800134e-17, 1.11022302e-16,
0.00000000e+00, -3.17723625e-12, 3.33988392e-12,
-1.62703184e-13]))
('penalty', 10000)
('old_driving_force', -41262.314991994936, 3.3398839249798584e-12)
('sublsum', -0.058771390378050035)
(1.0, -41262.364689546986, 2.9591823436092568e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60362521 0.33333487 0.06303992], NP=0.29591164809919657), CompositionSet(BCC_A2, [ 0.30021839 0.14396251 0.5558191 ], NP=0.7040883519008035)])
('step', array([ -9.93337295e-06, 2.92259707e-06, 7.01077589e-06,
1.52670410e-07, -1.54966999e-06, 1.39699958e-06,
-8.62684225e-06, -7.70943641e-06, 1.63362787e-05,
0.00000000e+00, 2.64289132e-05, -2.64289132e-05]))
('conv_angle', 85.852109910844206)
('Site fractions', array([ 9.05437720e-01, 3.17376441e-06, 9.45591060e-02,
1.82931713e-07, 9.99998274e-01, 1.54354874e-06,
3.00218388e-01, 1.43962513e-01, 5.55819099e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.29591165, 0.70408835]))
('Chemical potentials', array([-40869.67491404, -39023.54041448, -42728.03040038]))
('Chem pot progress', array([-0.30053831, -0.07756739, 0.18243357]))
('Energy progress', -0.049702414151397534)
('Driving force', 0.0090680623106891289)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60362521 0.33333487 0.06303992], NP=0.29591164809919657), CompositionSet(BCC_A2, [ 0.30021839 0.14396251 0.5558191 ], NP=0.7040883519008035)])
('reduced_hessian eigenvalues', array([ 2.83965423e+03, 8.21405276e+03, 2.20236544e+08,
2.80932145e+08, 2.65098693e+09]))
('NEW_L_MULTIPLIERS', array([ -2357.4344446 , -6937.26389487, 5552.67171216, -19260.29120249,
-40871.87754165, -39024.1216463 , -42726.69014087]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 1.30889460e-16, -1.11022302e-16,
0.00000000e+00, 5.43242673e-11, 2.41594050e-10,
-2.95918234e-10]))
('penalty', 10000)
('old_driving_force', -41262.364689546332, 2.9591823436092568e-10)
('sublsum', -0.4348267771478066)
(1.0, -41262.723013886927, 1.6227477472874341e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60357127 0.33335024 0.06307848], NP=0.29610799238687163), CompositionSet(BCC_A2, [ 0.30015645 0.14390324 0.55594031], NP=0.7038920076131283)])
('step', array([ -8.11980740e-05, 2.88969313e-05, 5.23011427e-05,
5.94153772e-07, -1.16812458e-05, 1.10870920e-05,
-6.19418740e-05, -5.92693274e-05, 1.21211201e-04,
0.00000000e+00, 1.96344288e-04, -1.96344288e-04]))
('conv_angle', 84.689470674508598)
('Site fractions', array([ 9.05356522e-01, 3.20706958e-05, 9.46114072e-02,
7.77085485e-07, 9.99986592e-01, 1.26306408e-05,
3.00156446e-01, 1.43903244e-01, 5.55940310e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.29610799, 0.70389201]))
('Chemical potentials', array([-40871.87754165, -39024.1216463 , -42726.69014087]))
('Chem pot progress', array([-2.2026276 , -0.58123183, 1.34025951]))
('Energy progress', -0.3585867889414658)
('Driving force', 0.076189823623280972)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60357127 0.33335024 0.06307848], NP=0.29610799238687163), CompositionSet(BCC_A2, [ 0.30015645 0.14390324 0.55594031], NP=0.7038920076131283)])
('reduced_hessian eigenvalues', array([ 2.82923983e+03, 8.21627150e+03, 2.67673612e+07,
2.84418831e+07, 6.14503116e+08]))
('NEW_L_MULTIPLIERS', array([ -2363.23471361, -6960.08888606, 5538.86361674, -19235.61035697,
-40883.63362173, -39027.33605465, -42719.51120573]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -5.89026712e-17, 1.11022302e-16,
0.00000000e+00, 1.57230062e-09, 1.46551768e-08,
-1.62274775e-08]))
('penalty', 10000)
('old_driving_force', -41262.723013704839, 1.6227477472874341e-08)
('sublsum', -2.3603031519385635)
(1.0, -41264.597588241137, 4.980308068724959e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60323418 0.33347397 0.06329185], NP=0.2971803653226979), CompositionSet(BCC_A2, [ 0.299836 0.14356255 0.55660145], NP=0.7028196346773021)])
('step', array([ -5.06343573e-04, 2.18499036e-04, 2.87844536e-04,
1.40517604e-06, -6.58122141e-05, 6.44070381e-05,
-3.20445743e-04, -3.40690791e-04, 6.61136534e-04,
0.00000000e+00, 1.07237294e-03, -1.07237294e-03]))
('conv_angle', 82.908967683779892)
('Site fractions', array([ 9.04850179e-01, 2.50569732e-04, 9.48992517e-02,
2.18226152e-06, 9.99920780e-01, 7.70376788e-05,
2.99836000e-01, 1.43562553e-01, 5.56601447e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.29718037, 0.70281963]))
('Chemical potentials', array([-40883.63362173, -39027.33605465, -42719.51120573]))
('Chem pot progress', array([-11.75608008, -3.21440834, 7.17893514]))
('Energy progress', -1.8824615581106627)
('Driving force', 0.4763688969615032)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60323418 0.33347397 0.06329185], NP=0.2971803653226979), CompositionSet(BCC_A2, [ 0.299836 0.14356255 0.55660145], NP=0.7028196346773021)])
('reduced_hessian eigenvalues', array([ 2.80257256e+03, 8.22175746e+03, 3.54629980e+06,
4.57594993e+06, 2.17640601e+08]))
('NEW_L_MULTIPLIERS', array([ -2384.42778597, -7043.05359631, 5486.17505045, -19144.01269664,
-40925.93975346, -39039.73685492, -42693.53129035]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 3.66460334e-17, -1.11022302e-16,
0.00000000e+00, -1.78531295e-08, 4.98030807e-07,
-4.80177677e-07]))
('penalty', 10000)
('old_driving_force', -41264.597570345482, 4.980308068724959e-07)
('sublsum', -8.7977101778613331)
(1.0, -41271.165314071281, 8.4137564532182907e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60169926 0.33419071 0.06411003], NP=0.30118296346977513), CompositionSet(BCC_A2, [ 0.29875718 0.14217722 0.5590656 ], NP=0.6988170365302248)])
('step', array([ -2.30324492e-03, 1.20455640e-03, 1.09868852e-03,
1.72182107e-06, -2.58888092e-04, 2.57166271e-04,
-1.07881769e-03, -1.38533217e-03, 2.46414987e-03,
0.00000000e+00, 4.00259815e-03, -4.00259815e-03]))
('conv_angle', 79.935095304059175)
('Site fractions', array([ 9.02546934e-01, 1.45512613e-03, 9.59979402e-02,
3.90408259e-06, 9.99661892e-01, 3.34203950e-04,
2.98757183e-01, 1.42177221e-01, 5.59065597e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.30118296, 0.69881704]))
('Chemical potentials', array([-40925.93975346, -39039.73685492, -42693.53129035]))
('Chem pot progress', array([-42.30613173, -12.40080028, 25.97991539]))
('Energy progress', -6.700331171210564)
('Driving force', 2.0781146752415225)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60169926 0.33419071 0.06411003], NP=0.30118296346977513), CompositionSet(BCC_A2, [ 0.29875718 0.14217722 0.5590656 ], NP=0.6988170365302248)])
('reduced_hessian eigenvalues', array([ 2.75618380e+03, 8.23712539e+03, 6.19790473e+05,
1.07074707e+06, 1.22690300e+08]))
('NEW_L_MULTIPLIERS', array([ -2430.54379103, -7222.34175733, 5359.7385939 , -18936.62808169,
-41015.91429091, -39071.27047969, -42637.5402143 ]))
('L_CONSTRAINTS', array([ 5.55111512e-17, -8.44593492e-17, 1.11022302e-16,
0.00000000e+00, -1.82560494e-06, 8.41375645e-06,
-6.58815151e-06]))
('penalty', 10000)
('old_driving_force', -41271.16484413531, 8.4137564532182907e-06)
('sublsum', -20.454277001256891)
(1.0, -41284.853582427611, 5.994052760271984e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59692308 0.33698593 0.06609099], NP=0.31035802274511387), CompositionSet(BCC_A2, [ 0.29684083 0.13843945 0.56471973], NP=0.6896419772548861)])
('step', array([ -7.16471016e-03, 4.51858647e-03, 2.64612369e-03,
8.89300196e-07, -6.51535448e-04, 6.50646148e-04,
-1.91635674e-03, -3.73777283e-03, 5.65412957e-03,
0.00000000e+00, 9.17505928e-03, -9.17505928e-03]))
('conv_angle', 74.608093311273137)
('Site fractions', array([ 8.95382223e-01, 5.97371260e-03, 9.86440639e-02,
4.79338278e-06, 9.99010357e-01, 9.84850098e-04,
2.96840826e-01, 1.38439448e-01, 5.64719726e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.31035802, 0.68964198]))
('Chemical potentials', array([-41015.91429091, -39071.27047969, -42637.5402143 ]))
('Chem pot progress', array([-89.97453745, -31.53362477, 55.99107605]))
('Energy progress', -14.57510477823962)
('Driving force', 5.7997642750269733)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59692308 0.33698593 0.06609099], NP=0.31035802274511387), CompositionSet(BCC_A2, [ 0.29684083 0.13843945 0.56471973], NP=0.6896419772548861)])
('reduced_hessian eigenvalues', array([ 2.74207573e+03, 8.21238505e+03, 1.55787509e+05,
3.74270834e+05, 1.02647494e+08]))
('NEW_L_MULTIPLIERS', array([ -2476.93301689, -7397.07354555, 5195.77765527, -18704.65382124,
-41097.65779571, -39119.49719012, -42583.25413689]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 6.24500451e-17, 0.00000000e+00,
0.00000000e+00, -2.62390204e-05, 5.99405276e-05,
-3.37015072e-05]))
('penalty', 10000)
('old_driving_force', -41284.851007040001, 5.994052760271984e-05)
('sublsum', -24.864355761050756)
(1.0, -41299.77829631028, 0.0001329918675991304)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58786192 0.34346211 0.06867597], NP=0.3209696720933823), CompositionSet(BCC_A2, [ 0.29633923 0.132383 0.57127777], NP=0.6790303279066177)])
('step', array([ -1.35918774e-02, 1.01853953e-02, 3.40648213e-03,
2.65086505e-07, -9.42247231e-04, 9.41982144e-04,
-5.01599295e-04, -6.05644820e-03, 6.55804749e-03,
0.00000000e+00, 1.06116493e-02, -1.06116493e-02]))
('conv_angle', 65.538537133039441)
('Site fractions', array([ 8.81790346e-01, 1.61591079e-02, 1.02050546e-01,
5.05846929e-06, 9.98068109e-01, 1.92683224e-03,
2.96339227e-01, 1.32383000e-01, 5.71277774e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32096967, 0.67903033]))
('Chemical potentials', array([-41097.65779571, -39119.49719012, -42583.25413689]))
('Chem pot progress', array([-81.74350481, -48.22671043, 54.28607742]))
('Energy progress', -16.231241727771703)
('Driving force', 8.6820408129569842)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58786192 0.34346211 0.06867597], NP=0.3209696720933823), CompositionSet(BCC_A2, [ 0.29633923 0.132383 0.57127777], NP=0.6790303279066177)])
('reduced_hessian eigenvalues', array([ 2.78538250e+03, 7.99485919e+03, 6.00961927e+04,
1.97596042e+05, 1.00354972e+08]))
('NEW_L_MULTIPLIERS', array([ -2488.12404088, -7419.92504359, 5102.99510917, -18624.82229398,
-41090.89197173, -39157.06667068, -42578.61218387]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 5.63785130e-18, 0.00000000e+00,
0.00000000e+00, -9.08310912e-05, 1.32991868e-04,
-4.21607764e-05]))
('penalty', 10000)
('old_driving_force', -41299.772489619376, 0.0001329918675991304)
('sublsum', -11.546648815639019)
(1.0, -41308.190129172421, 5.2045420940144416e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57918441 0.35078185 0.07003373], NP=0.3252038419514463), CompositionSet(BCC_A2, [ 0.29875692 0.12741098 0.5738321 ], NP=0.6747961580485535)])
('step', array([ -1.30163294e-02, 1.13363791e-02, 1.67995029e-03,
1.48354704e-07, -7.13524587e-04, 7.13376232e-04,
2.41769754e-03, -4.97202046e-03, 2.55432291e-03,
0.00000000e+00, 4.23416986e-03, -4.23416986e-03]))
('conv_angle', 54.654771027260004)
('Site fractions', array([ 8.68774017e-01, 2.74954870e-02, 1.03730496e-01,
5.20682399e-06, 9.97354585e-01, 2.64020847e-03,
2.98756924e-01, 1.27410979e-01, 5.73832097e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32520384, 0.67479616]))
('Chemical potentials', array([-41090.89197173, -39157.06667068, -42578.61218387]))
('Chem pot progress', array([ 6.76582398, -37.56948056, 4.64195301]))
('Energy progress', -7.010432878021675)
('Driving force', 4.8611609078434412)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57918441 0.35078185 0.07003373], NP=0.3252038419514463), CompositionSet(BCC_A2, [ 0.29875692 0.12741098 0.5738321 ], NP=0.6747961580485535)])
('reduced_hessian eigenvalues', array([ 2.82661125e+03, 7.59051490e+03, 3.65292267e+04,
1.46055087e+05, 9.86801666e+07]))
('NEW_L_MULTIPLIERS', array([ -2483.46497421, -7388.07414191, 5087.34490323, -18636.50912138,
-41063.25387188, -39167.65435217, -42590.84106757]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -5.50774704e-17, 0.00000000e+00,
0.00000000e+00, -4.69789658e-05, 5.20454209e-05,
-5.06645512e-06]))
('penalty', 10000)
('old_driving_force', -41308.188341679823, 5.2045420940144416e-05)
('sublsum', -1.2193973027200524)
(1.0, -41309.860003529677, 6.9444871175772249e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57592335 0.35387804 0.07019861], NP=0.3250638453496355), CompositionSet(BCC_A2, [ 0.30045633 0.12588805 0.57365563], NP=0.6749361546503644)])
('step', array([ -4.89162219e-03, 4.76479545e-03, 1.26826736e-04,
4.30163212e-08, -2.41022403e-04, 2.40979387e-04,
1.69940123e-03, -1.52292950e-03, -1.76471721e-04,
0.00000000e+00, -1.39996602e-04, 1.39996602e-04]))
('conv_angle', 51.540423370047712)
('Site fractions', array([ 8.63882394e-01, 3.22602825e-02, 1.03857323e-01,
5.24984031e-06, 9.97113562e-01, 2.88118786e-03,
3.00456325e-01, 1.25888050e-01, 5.73655625e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32506385, 0.67493615]))
('Chemical potentials', array([-41063.25387188, -39167.65435217, -42590.84106757]))
('Chem pot progress', array([ 27.63809986, -10.58768149, -12.2288837 ]))
('Energy progress', -0.7521919424616499)
('Driving force', 0.57082566701137694)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57592335 0.35387804 0.07019861], NP=0.3250638453496355), CompositionSet(BCC_A2, [ 0.30045633 0.12588805 0.57365563], NP=0.6749361546503644)])
('reduced_hessian eigenvalues', array([ 2.83268477e+03, 7.37606164e+03, 3.15238694e+04,
1.33796535e+05, 9.78214857e+07]))
('NEW_L_MULTIPLIERS', array([ -2482.5178319 , -7383.03928734, 5087.07741913, -18639.85388373,
-41059.54392821, -39168.24111357, -42592.71613938]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 4.46691295e-17, 0.00000000e+00,
0.00000000e+00, 6.94448712e-07, -6.46660964e-07,
-4.77877477e-08]))
('penalty', 10000)
('old_driving_force', -41309.860006575087, 6.9444871175772249e-07)
('sublsum', -0.010276296572631268)
(1.0, -41309.877981885125, 5.4015248218686196e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57561809 0.3541849 0.07019701], NP=0.32495488199084566), CompositionSet(BCC_A2, [ 0.30064679 0.12577803 0.57357519], NP=0.6750451180091542)])
('step', array([ -4.57887951e-04, 4.71132654e-04, -1.32447025e-05,
3.20307816e-09, -2.16951164e-05, 2.16919133e-05,
1.90461810e-04, -1.10023462e-04, -8.04383477e-05,
0.00000000e+00, -1.08963359e-04, 1.08963359e-04]))
('conv_angle', 55.129990197604059)
('Site fractions', array([ 8.63424507e-01, 3.27314151e-02, 1.03844078e-01,
5.25304339e-06, 9.97091867e-01, 2.90287977e-03,
3.00646787e-01, 1.25778026e-01, 5.73575187e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32495488, 0.67504512]))
('Chemical potentials', array([-41059.54392821, -39168.24111357, -42592.71613938]))
('Chem pot progress', array([ 3.70994366, -0.5867614 , -1.87507181]))
('Energy progress', -0.004089616872079205)
('Driving force', 0.0049096725560957566)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57561809 0.3541849 0.07019701], NP=0.32495488199084566), CompositionSet(BCC_A2, [ 0.30064679 0.12577803 0.57357519], NP=0.6750451180091542)])
('reduced_hessian eigenvalues', array([ 2.83129593e+03, 7.34818882e+03, 3.11053444e+04,
1.32756602e+05, 9.77299309e+07]))
('NEW_L_MULTIPLIERS', array([ -2482.50726969, -7382.99216062, 5087.07906034, -18639.88798174,
-41059.51199492, -39168.24424673, -42592.73301346]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 4.77048956e-18, 0.00000000e+00,
0.00000000e+00, 5.40152482e-08, -4.54246660e-08,
-8.59058225e-09]))
('penalty', 10000)
('old_driving_force', -41309.877981887141, 5.4015248218686196e-08)
('sublsum', -7.0865611589408291e-07)
(1.0, -41309.879062450251, 4.8098747207347969e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5756155 0.35418746 0.07019704], NP=0.3249537436141746), CompositionSet(BCC_A2, [ 0.30064842 0.12577724 0.57357434], NP=0.6750462563858254)])
('step', array([ -3.88978036e-06, 3.93357215e-06, -4.37917819e-08,
2.98551918e-11, -1.73948599e-07, 1.73918743e-07,
1.63199637e-06, -7.81986414e-07, -8.50009951e-07,
0.00000000e+00, -1.13837667e-06, 1.13837667e-06]))
('conv_angle', 57.021038045638804)
('Site fractions', array([ 8.63420617e-01, 3.27353487e-02, 1.03844035e-01,
5.25307325e-06, 9.97091693e-01, 2.90305369e-03,
3.00648419e-01, 1.25777244e-01, 5.73574337e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32495374, 0.67504626]))
('Chemical potentials', array([-41059.51199492, -39168.24424673, -42592.73301346]))
('Chem pot progress', array([ 0.03193329, -0.00313316, -0.01687408]))
('Energy progress', 7.237892714329064e-05)
('Driving force', 3.3748074201866984e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5756155 0.35418746 0.07019704], NP=0.3249537436141746), CompositionSet(BCC_A2, [ 0.30064842 0.12577724 0.57357434], NP=0.6750462563858254)])
('reduced_hessian eigenvalues', array([ 2.83068844e+03, 7.34966006e+03, 3.11014908e+04,
1.32748637e+05, 9.77290439e+07]))
('NEW_L_MULTIPLIERS', array([ -2482.50727916, -7382.99217423, 5087.07904812, -18639.88798518,
-41059.51198172, -39168.24426444, -42592.73301655]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 3.68628739e-17, 1.11022302e-16,
0.00000000e+00, 4.80987472e-12, -3.80942500e-12,
-1.00031095e-12]))
('penalty', 10000)
('old_driving_force', -41309.879062450251, 4.8098747207347969e-12)
('sublsum', -1.2149613439829875e-14)
(1.0, -41309.879062546446, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5756155 0.35418746 0.07019704], NP=0.32495374396340804), CompositionSet(BCC_A2, [ 0.30064842 0.12577724 0.57357434], NP=0.675046256036592)])
('step', array([ 5.27113284e-10, 1.25726158e-10, -6.52839456e-10,
-1.93532662e-14, 3.06781062e-11, -3.06587898e-11,
-3.18536796e-10, -1.57794853e-10, 4.76331538e-10,
0.00000000e+00, 3.49233401e-10, -3.49233458e-10]))
('conv_angle', 68.195308429405856)
('Site fractions', array([ 8.63420617e-01, 3.27353488e-02, 1.03844034e-01,
5.25307323e-06, 9.97091693e-01, 2.90305366e-03,
3.00648419e-01, 1.25777244e-01, 5.73574337e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32495374, 0.67504626]))
('Chemical potentials', array([-41059.51198172, -39168.24426444, -42592.73301655]))
('Chem pot progress', array([ 1.32009882e-05, -1.77127877e-05, -3.09352617e-06]))
('Energy progress', 5.675246939063072e-09)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.30064842 0.12577724 0.57357434], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.30064842 0.12577724 0.57357434], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.30064843 0.12577722 0.57357435], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.30064842 0.12577724 0.57357434], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.30064842 0.12577725 0.57357433], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.30064842 0.12577724 0.57357434], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.30064842 0.12577723 0.57357435], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.30064842 0.12577725 0.57357433], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.30064842 0.12577724 0.57357434], NP=1.0), -2.1827872842550278e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.5756155 0.35418746 0.07019704], NP=1.0), 0.0), (CompositionSet(LAVES_C15, [ 0.5756155 0.35418746 0.07019704], NP=1.0), 0.0)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.26381813343276433), CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=0.7361818665672357)])
('reduced_hessian eigenvalues', array([ 2.78239622e+03, 6.42124440e+03, 1.45367950e+14,
4.37601637e+14, 5.58647738e+14]))
('NEW_L_MULTIPLIERS', array([ -2583.71700912, -7568.35779942, 6160.33776538, -18063.10297162,
-40822.45895106, -39150.70416046, -42674.84188926]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 0.00000000e+00,
0.00000000e+00, -5.96795352e-02, 1.25600068e-01,
-6.59205327e-02]))
('penalty', 10000)
('old_driving_force', -38686.405514004364, 0.12560006791838937)
('sublsum', -23.707831056972253)
(1.0, -41018.965318393391, 0.010150126300325663)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60716977 0.33333333 0.0594969 ], NP=0.32339826748562467), CompositionSet(BCC_A2, [ 0.28334247 0.16605146 0.55060607], NP=0.6766017325143753)])
('step', array([ 2.18657655e-02, 4.25239705e-11, -2.18657655e-02,
2.71823293e-11, -6.51038737e-11, 3.79217630e-11,
4.70098443e-02, -1.70360917e-01, 1.23351073e-01,
0.00000000e+00, 5.95801341e-02, -5.95801341e-02]))
('conv_angle', 89.828151307027227)
('Site fractions', array([ 9.10754654e-01, 4.35239705e-11, 8.92453456e-02,
2.81823293e-11, 1.00000000e+00, 3.89217630e-11,
2.83342470e-01, 1.66051457e-01, 5.50606073e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32339827, 0.67660173]))
('Chemical potentials', array([-40822.45895106, -39150.70416046, -42674.84188926]))
('Chem pot progress', array([ 5.06214282, -65.41975119, 18.99546741]))
('Energy progress', 18.401055289323267)
('Driving force', -9.6242240878127632)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60716977 0.33333333 0.0594969 ], NP=0.32339826748562467), CompositionSet(BCC_A2, [ 0.28334247 0.16605146 0.55060607], NP=0.6766017325143753)])
('reduced_hessian eigenvalues', array([ 2.88944687e+03, 9.38690255e+03, 7.49256368e+12,
2.18749561e+13, 2.38396459e+13]))
('NEW_L_MULTIPLIERS', array([ -2452.39190325, -7235.79724773, 5583.37035111, -18838.81117642,
-40892.06531583, -38983.29315829, -42733.56999334]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 8.24393031e-18, 1.11022302e-16,
0.00000000e+00, -1.93234267e-03, 1.01501263e-02,
-8.21778363e-03]))
('penalty', 10000)
('old_driving_force', -41021.28167941048, 0.010150126300325663)
('sublsum', -1.6859273656374725)
(1.0, -41220.655383024874, 0.00022120960704669068)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60374978 0.33333333 0.06291689], NP=0.30863007815095145), CompositionSet(BCC_A2, [ 0.29490127 0.15470109 0.55039764], NP=0.6913699218490487)])
('step', array([ -5.12998476e-03, 8.43283719e-10, 5.12998392e-03,
3.22985929e-10, -9.82443221e-10, 6.59457286e-10,
1.15588003e-02, -1.13503640e-02, -2.08436267e-04,
0.00000000e+00, -1.47681893e-02, 1.47681893e-02]))
('conv_angle', 89.902766736881077)
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1.52491066e+05, 1.03516853e+08]))
('NEW_L_MULTIPLIERS', array([ -2587.69510836, -7728.00224261, 5089.27823928, -18157.63132219,
-41103.94373145, -39103.20033069, -42584.37906369]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -1.95156391e-17, 0.00000000e+00,
0.00000000e+00, -5.68374194e-05, 6.48194788e-05,
-7.98205941e-06]))
('penalty', 10000)
('old_driving_force', -41273.31767769, 6.4819478762995208e-05)
('sublsum', -1.347569865520297)
(1.0, -41275.313131702504, 6.9908621930236947e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57506867 0.354241 0.07069033], NP=0.3399410281393164), CompositionSet(BCC_A2, [ 0.29468559 0.13571458 0.56959984], NP=0.6600589718606835)])
('step', array([ -5.12465637e-03, 4.95408984e-03, 1.70566529e-04,
4.38399767e-08, -2.46132838e-04, 2.46088998e-04,
1.78642770e-03, -1.79934681e-03, 1.29191086e-05,
0.00000000e+00, 1.34365998e-04, -1.34365998e-04]))
('conv_angle', 51.504337797981499)
('Site fractions', array([ 8.62600396e-01, 3.28049813e-02, 1.04594622e-01,
5.21736762e-06, 9.97113048e-01, 2.88173459e-03,
2.94685588e-01, 1.35714576e-01, 5.69599836e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.33994103, 0.66005897]))
('Chemical potentials', array([-41103.94373145, -39103.20033069, -42584.37906369]))
('Chem pot progress', array([ 26.8138217 , -8.72482404, -11.84651145]))
('Energy progress', -0.8532370518005337)
('Driving force', 0.63463675791717833)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57506867 0.354241 0.07069033], NP=0.3399410281393164), CompositionSet(BCC_A2, [ 0.29468559 0.13571458 0.56959984], NP=0.6600589718606835)])
('reduced_hessian eigenvalues', array([ 2.75202652e+03, 7.62976242e+03, 3.19814455e+04,
1.39534238e+05, 1.02672585e+08]))
('NEW_L_MULTIPLIERS', array([ -2586.8356843 , -7723.01129571, 5088.72306945, -18160.73225007,
-41100.07119663, -39103.73985328, -42586.31394724]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 9.41087486e-17, 0.00000000e+00,
0.00000000e+00, -6.99086219e-07, 6.74521216e-07,
2.45650035e-08]))
('penalty', 10000)
('old_driving_force', -41275.313128583824, 6.9908621930236947e-07)
('sublsum', -0.011795132252812526)
(1.0, -41275.332025673721, 5.0769714432519208e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57474456 0.35456641 0.07068903], NP=0.3398457018966551), CompositionSet(BCC_A2, [ 0.29489406 0.13557752 0.56952841], NP=0.660154298103345)])
('step', array([ -4.86171386e-04, 4.99394089e-04, -1.32227031e-05,
3.05576544e-09, -2.25634633e-05, 2.25604076e-05,
2.08475826e-04, -1.37052647e-04, -7.14231797e-05,
0.00000000e+00, -9.53262427e-05, 9.53262427e-05]))
('conv_angle', 54.308018167364523)
('Site fractions', array([ 8.62114225e-01, 3.33043754e-02, 1.04581400e-01,
5.22042339e-06, 9.97090485e-01, 2.90429500e-03,
2.94894063e-01, 1.35577523e-01, 5.69528413e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.3398457, 0.6601543]))
('Chemical potentials', array([-41100.07119663, -39103.73985328, -42586.31394724]))
('Chem pot progress', array([ 3.87253482, -0.53952259, -1.93488355]))
('Energy progress', -0.007318890064198058)
('Driving force', 0.0056737038175924681)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57474456 0.35456641 0.07068903], NP=0.3398457018966551), CompositionSet(BCC_A2, [ 0.29489406 0.13557752 0.56952841], NP=0.660154298103345)])
('reduced_hessian eigenvalues', array([ 2.75064361e+03, 7.60573957e+03, 3.15411343e+04,
1.38414031e+05, 1.02584316e+08]))
('NEW_L_MULTIPLIERS', array([ -2586.82706846, -7722.96297355, 5088.72197427, -18160.76172547,
-41100.03658533, -39103.74236353, -42586.33219321]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 1.43114687e-17, 0.00000000e+00,
0.00000000e+00, 5.07697144e-08, -4.40846585e-08,
-6.68505584e-09]))
('penalty', 10000)
('old_driving_force', -41275.332025675707, 5.0769714432519208e-08)
('sublsum', -8.5062731141523104e-07)
(1.0, -41275.333041398444, 4.8457349244301895e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57474182 0.35456919 0.07068899], NP=0.33984463066621134), CompositionSet(BCC_A2, [ 0.29489585 0.13557651 0.56952764], NP=0.6601553693337887)])
('step', array([ -4.10577622e-06, 4.26531979e-06, -1.59543571e-07,
1.69079572e-11, -1.82557217e-07, 1.82540309e-07,
1.78629907e-06, -1.01039169e-06, -7.75907380e-07,
0.00000000e+00, -1.07123044e-06, 1.07123044e-06]))
('conv_angle', 55.528470992166845)
('Site fractions', array([ 8.62110119e-01, 3.33086407e-02, 1.04581240e-01,
5.22044030e-06, 9.97090302e-01, 2.90447754e-03,
2.94895850e-01, 1.35576513e-01, 5.69527637e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.33984463, 0.66015537]))
('Chemical potentials', array([-41100.03658533, -39103.74236353, -42586.33219321]))
('Chem pot progress', array([ 0.03461131, -0.00251025, -0.01824597]))
('Energy progress', 7.76376691646874e-05)
('Driving force', 4.0770828491076827e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57474182 0.35456919 0.07068899], NP=0.33984463066621134), CompositionSet(BCC_A2, [ 0.29489585 0.13557651 0.56952764], NP=0.6601553693337887)])
('reduced_hessian eigenvalues', array([ 2.74902371e+03, 7.60432028e+03, 3.15369098e+04,
1.38405614e+05, 1.02583670e+08]))
('NEW_L_MULTIPLIERS', array([ -2586.82706077, -7722.9629518 , 5088.72199396, -18160.76178616,
-41100.03657873, -39103.74237024, -42586.3321951 ]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -7.02563008e-17, 1.11022302e-16,
0.00000000e+00, 4.84573492e-12, -4.06327749e-12,
-7.82485188e-13]))
('penalty', 10000)
('old_driving_force', -41275.333041398444, 4.8457349244301895e-12)
('sublsum', -1.4933675549166687e-14)
(1.0, -41275.333041495367, 2.2204460492503131e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57474182 0.35456919 0.07068899], NP=0.3398446296531115), CompositionSet(BCC_A2, [ 0.29489585 0.13557651 0.56952764], NP=0.6601553703468886)])
('step', array([ -2.50201465e-10, 2.87936384e-10, -3.77348916e-11,
3.33254757e-14, -4.16881697e-11, 4.16549145e-11,
5.07984631e-10, 2.50564432e-10, -7.58549174e-10,
0.00000000e+00, -1.01309982e-09, 1.01309990e-09]))
('conv_angle', 82.82900370105466)
('Site fractions', array([ 8.62110119e-01, 3.33086410e-02, 1.04581240e-01,
5.22044033e-06, 9.97090302e-01, 2.90447758e-03,
2.94895850e-01, 1.35576513e-01, 5.69527636e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.33984463, 0.66015537]))
('Chemical potentials', array([-41100.03657873, -39103.74237024, -42586.3321951 ]))
('Chem pot progress', array([ 6.59516809e-06, -6.71466114e-06, -1.88578997e-06]))
('Energy progress', 6.941263563930988e-09)
('Driving force', -1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.29489587 0.13557647 0.56952766], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.29489583 0.13557656 0.56952761], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.29489586 0.1355765 0.56952765], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.29489585 0.13557651 0.56952764], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.29489585 0.13557651 0.56952764], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.29489584 0.13557654 0.56952762], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.29489586 0.13557648 0.56952766], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.29489586 0.13557648 0.56952765], NP=1.0), 0.0)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57474182 0.35456919 0.07068899], NP=1.0), -2.1827872842550278e-11), (CompositionSet(LAVES_C15, [ 0.57474182 0.35456919 0.07068899], NP=1.0), 1.4551915228366852e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.2356329978092502), CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=0.7643670021907498)])
('reduced_hessian eigenvalues', array([ 2.74770798e+03, 5.72783889e+03, 1.30329855e+14,
3.91885755e+14, 5.05837725e+14]))
('NEW_L_MULTIPLIERS', array([ -2373.75154277, -6954.80557462, 6411.75965528, -18748.0449965 ,
-40824.93315835, -39147.63782229, -42675.3619179 ]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 0.00000000e+00,
0.00000000e+00, -5.97207707e-02, 1.25686851e-01,
-6.59660804e-02]))
('penalty', 10000)
('old_driving_force', -38703.893725467489, 0.12568685112319741)
('sublsum', -22.956576237813373)
(1.0, -41038.261021171034, 0.01010286766336127)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60757406 0.33333333 0.0590926 ], NP=0.2971665393953173), CompositionSet(BCC_A2, [ 0.28116541 0.17222765 0.54660694], NP=0.7028334606046828)])
('step', array([ 2.24722046e-02, 4.37501840e-11, -2.24722047e-02,
2.79640330e-11, -6.69766777e-11, 3.90128607e-11,
4.48327890e-02, -1.64184726e-01, 1.19351937e-01,
0.00000000e+00, 6.15335416e-02, -6.15335416e-02]))
('conv_angle', 89.807935999348189)
('Site fractions', array([ 9.11361094e-01, 4.47501840e-11, 8.86389064e-02,
2.89640330e-11, 1.00000000e+00, 4.00128607e-11,
2.81165414e-01, 1.72227649e-01, 5.46606937e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.29716654, 0.70283346]))
('Chemical potentials', array([-40824.93315835, -39147.63782229, -42675.3619179 ]))
('Chem pot progress', array([ 2.58793552, -62.35341302, 18.47543877]))
('Energy progress', 18.76383936071943)
('Driving force', -8.9414452436831198)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60757406 0.33333333 0.0590926 ], NP=0.2971665393953173), CompositionSet(BCC_A2, [ 0.28116541 0.17222765 0.54660694], NP=0.7028334606046828)])
('reduced_hessian eigenvalues', array([ 2.84019522e+03, 8.75202916e+03, 6.73367167e+12,
1.99142086e+13, 2.13791556e+13]))
('NEW_L_MULTIPLIERS', array([ -2249.66522808, -6642.50067662, 5856.05889658, -19485.58039744,
-40898.88583511, -38971.49729782, -42733.18363306]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 8.97759337e-17, 0.00000000e+00,
0.00000000e+00, -1.83685739e-03, 1.01028677e-02,
-8.26601027e-03]))
('penalty', 10000)
('old_driving_force', -41040.654340992354, 0.01010286766336127)
('sublsum', -1.5092640931882952)
(1.0, -41239.395928596554, 0.00020160390326307009)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60373904 0.33333333 0.06292763], NP=0.2832808237892195), CompositionSet(BCC_A2, [ 0.29184919 0.16103609 0.54711472], NP=0.7167191762107806)])
('step', array([ -5.75253340e-03, 8.65018618e-10, 5.75253253e-03,
3.30770617e-10, -1.00686299e-09, 6.76092284e-10,
1.06837761e-02, -1.11915560e-02, 5.07779899e-04,
0.00000000e+00, -1.38857156e-02, 1.38857156e-02]))
('conv_angle', 89.901135606250222)
('Site fractions', array([ 9.05608560e-01, 9.09768802e-10, 9.43914390e-02,
3.59734650e-10, 9.99999999e-01, 7.16105145e-10,
2.91849190e-01, 1.61036093e-01, 5.47114717e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.28328082, 0.71671918]))
('Chemical potentials', array([-40898.88583511, -38971.49729782, -42733.18363306]))
('Chem pot progress', array([ -73.95267676, 176.14052447, -57.82171516]))
('Energy progress', -35.56556303625257)
('Driving force', 2.7683327786362497)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60373904 0.33333333 0.06292763], NP=0.2832808237892195), CompositionSet(BCC_A2, [ 0.29184919 0.16103609 0.54711472], NP=0.7167191762107806)])
('reduced_hessian eigenvalues', array([ 2.76615958e+03, 7.90273732e+03, 3.97563066e+11,
9.42604954e+11, 1.48434030e+12]))
('NEW_L_MULTIPLIERS', array([ -2251.62949707, -6641.95794409, 5848.24521381, -19486.10813016,
-40895.62393001, -38976.10128085, -42727.11286706]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -3.03536670e-17, 0.00000000e+00,
0.00000000e+00, 2.01603903e-04, -1.55402767e-04,
-4.62011364e-05]))
('penalty', 10000)
('old_driving_force', -41239.397021204772, 0.00020160390326307009)
('sublsum', -0.0045976692810295074)
(1.0, -41243.431170128366, 2.1002582895057742e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6033974 0.33333334 0.06326926], NP=0.283336937121882), CompositionSet(BCC_A2, [ 0.29167852 0.16123943 0.54708206], NP=0.716663062878118)])
('step', array([ -5.12455892e-04, 1.57114027e-08, 5.12440180e-04,
3.40757229e-09, -1.40427116e-08, 1.06351394e-08,
-1.70675103e-04, 2.03333409e-04, -3.26583061e-05,
0.00000000e+00, 5.61133327e-05, -5.61133327e-05]))
('conv_angle', 89.987230871316115)
('Site fractions', array([ 9.05096104e-01, 1.66211715e-08, 9.49038791e-02,
3.76730694e-09, 9.99999985e-01, 1.13512445e-08,
2.91678515e-01, 1.61239426e-01, 5.47082058e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.28333694, 0.71666306]))
('Chemical potentials', array([-40895.62393001, -38976.10128085, -42727.11286706]))
('Chem pot progress', array([ 3.2619051 , -4.60398303, 6.07076601]))
('Energy progress', 0.21113098403293407)
('Driving force', 0.003047697406145744)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6033974 0.33333334 0.06326926], NP=0.283336937121882), CompositionSet(BCC_A2, [ 0.29167852 0.16123943 0.54708206], NP=0.716663062878118)])
('reduced_hessian eigenvalues', array([ 2.76857287e+03, 7.86740089e+03, 2.68387170e+10,
5.16159769e+10, 1.32467367e+11]))
('NEW_L_MULTIPLIERS', array([ -2251.64945863, -6642.01994037, 5848.20667437, -19486.03991571,
-40895.6471201 , -38976.10768309, -42727.09521629]))
('L_CONSTRAINTS', array([ 1.38777878e-17, -9.26741163e-17, 0.00000000e+00,
0.00000000e+00, -9.59319274e-09, -1.14093901e-08,
2.10025829e-08]))
('penalty', 10000)
('old_driving_force', -41243.431170129035, 2.1002582895057742e-08)
('sublsum', -0.0059675731013248134)
(1.0, -41243.43673532777, 2.5370539002977921e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60339599 0.33333344 0.06327057], NP=0.28333992843534705), CompositionSet(BCC_A2, [ 0.29167779 0.16123868 0.54708353], NP=0.7166600715646528)])
('step', array([ -2.14136951e-06, 2.38699433e-07, 1.90267008e-06,
2.68306074e-08, -1.64014095e-07, 1.37183487e-07,
-7.26846025e-07, -7.43690171e-07, 1.47053620e-06,
0.00000000e+00, 2.99131347e-06, -2.99131347e-06]))
('conv_angle', 87.123460294923035)
('Site fractions', array([ 9.05093963e-01, 2.55320604e-07, 9.49057818e-02,
3.05979143e-08, 9.99999821e-01, 1.48534732e-07,
2.91677788e-01, 1.61238683e-01, 5.47083529e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.28333993, 0.71666007]))
('Chemical potentials', array([-40895.6471201 , -38976.10768309, -42727.09521629]))
('Chem pot progress', array([-0.02319009, -0.00640224, 0.01765076]))
('Energy progress', -0.005084826174424961)
('Driving force', 0.0008223884942708537)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60339599 0.33333344 0.06327057], NP=0.28333992843534705), CompositionSet(BCC_A2, [ 0.29167779 0.16123868 0.54708353], NP=0.7166600715646528)])
('reduced_hessian eigenvalues', array([ 2.76486929e+03, 7.86649824e+03, 2.14118933e+09,
3.36178797e+09, 1.56160973e+10]))
('NEW_L_MULTIPLIERS', array([ -2251.80473706, -6642.63217894, 5847.86461721, -19485.39129665,
-40895.96493917, -38976.16346789, -42726.90932986]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 4.07591990e-17, 0.00000000e+00,
0.00000000e+00, -2.06940021e-12, 2.53705390e-12,
-4.67792471e-13]))
('penalty', 10000)
('old_driving_force', -41243.43673532777, 2.5370539002977921e-12)
('sublsum', -0.057094924994707676)
(1.0, -41243.485012282727, 3.1603353267684042e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60338918 0.3333349 0.06327592], NP=0.28336778456011086), CompositionSet(BCC_A2, [ 0.29166836 0.16123142 0.54710022], NP=0.7166322154398892)])
('step', array([ -1.02825873e-05, 2.96947535e-06, 7.31311196e-06,
1.53842087e-07, -1.56711148e-06, 1.41326939e-06,
-9.42633384e-06, -7.26537088e-06, 1.66917047e-05,
0.00000000e+00, 2.78561248e-05, -2.78561248e-05]))
('conv_angle', 85.97583968363918)
('Site fractions', array([ 9.05083680e-01, 3.22479596e-06, 9.49130949e-02,
1.84440001e-07, 9.99998254e-01, 1.56180412e-06,
2.91668362e-01, 1.61231417e-01, 5.47100221e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.28336778, 0.71663222]))
('Chemical potentials', array([-40895.96493917, -38976.16346789, -42726.90932986]))
('Chem pot progress', array([-0.31781907, -0.0557848 , 0.18588644]))
('Energy progress', -0.048282185511197895)
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('penalty', 10000)
('old_driving_force', -41290.054594756461, 4.9706350147005196e-12)
('sublsum', -1.0912721418025068e-14)
(1.0, -41290.054594855879, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57423188 0.35479651 0.0709716 ], NP=0.31513635825031194), CompositionSet(BCC_A2, [ 0.29062523 0.14337266 0.56600211], NP=0.684863641749688)])
('step', array([ -2.46035200e-10, 3.69825293e-10, -1.23790093e-10,
-6.52330077e-14, -6.20955214e-11, 6.21607908e-11,
3.38010401e-10, 1.03226074e-10, -4.41236252e-10,
0.00000000e+00, -6.51483272e-10, 6.51483032e-10]))
('conv_angle', 78.849053917434446)
('Site fractions', array([ 8.61345225e-01, 3.36498458e-02, 1.05004929e-01,
5.20085145e-06, 9.97089845e-01, 2.90495394e-03,
2.90625233e-01, 1.43372656e-01, 5.66002111e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.31513636, 0.68486364]))
('Chemical potentials', array([-41123.79146411, -39065.85650881, -42583.37554059]))
('Chem pot progress', array([ -1.93681626e-06, 6.80063386e-06, -7.85163138e-07]))
('Energy progress', 7.275957614183426e-09)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.29062523 0.14337266 0.56600211], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.29062518 0.14337275 0.56600207], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.29062524 0.14337264 0.56600212], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57423189 0.35479651 0.0709716 ], NP=1.0), 0.0), (CompositionSet(LAVES_C15, [ 0.57423189 0.35479651 0.0709716 ], NP=1.0), 7.275957614183426e-12)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 8.88888889e-01 1.00000000e-12 1.11111111e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e+00 1.00000000e-12 1.00000000e-12], NP=0.16000000000047976), CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=0.8399999999995206)])
('reduced_hessian eigenvalues', array([ 1.61682606e+14, 3.26368981e+14, 6.84637706e+14,
1.03671141e+15, 1.51469951e+15]))
('NEW_L_MULTIPLIERS', array([ 1.16134795e+03, -3.61207979e+03, -1.26558964e+04,
-1.46746007e+04, -2.98339236e+04, -5.97167473e+04,
4.80443175e+06]))
('L_CONSTRAINTS', array([ -1.77801169e-16, 0.00000000e+00, -1.77801169e-16,
-1.99922887e-16, 9.99000216e-10, 1.11022302e-16,
-9.99000000e-10]))
('penalty', 10000)
('old_driving_force', -38201.109189509654, 9.9900021588439358e-10)
('sublsum', -0.005025428675268024)
(1.0, -38201.114191504115, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.99999999e-01 3.48823206e-11 1.00683531e-09], NP=0.15999999920344765), CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 9.98698036e-10], NP=0.8400000007965521)])
('step', array([ -1.03971746e-09, 3.38823206e-11, 1.00583531e-09,
0.00000000e+00, -1.02591428e-09, 2.82286628e-11,
9.97685793e-10, 2.69438649e-11, -1.02466619e-09,
9.97722521e-10, -7.97032107e-10, 7.97031596e-10]))
('conv_angle', 55.477034977928732)
('Site fractions', array([ 9.99999999e-01, 3.48823206e-11, 1.00683531e-09,
1.00000000e+00, 9.99999999e-01, 2.92286628e-11,
9.98685793e-10, 2.79438649e-11, 9.99999999e-01,
9.98722521e-10]))
('Phase fractions', array([ 0.16, 0.84]))
('Chemical potentials', array([ -29833.92355463, -59716.74727368, 4804431.74841861]))
('Chem pot progress', array([ -1.94229691e-04, -6.15787067e-05, 4.87809747e+06]))
('Energy progress', -0.00010879506589844823)
('Driving force', -0.0048298051406163722)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.99999999e-01 3.48823206e-11 1.00683531e-09], NP=0.15999999920344765), CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 9.98698036e-10], NP=0.8400000007965521)])
('reduced_hessian eigenvalues', array([ 5.71670141e+11, 8.38165127e+11, 1.64330714e+13,
3.32740135e+13, 4.73512897e+13]))
('NEW_L_MULTIPLIERS', array([ 1161.35173966, -3612.07984262, -12655.8830019 ,
-14674.61784009, -29833.94734334, -59716.68590769,
-171690.7594806 ]))
('L_CONSTRAINTS', array([ 3.27297191e-17, 0.00000000e+00, 3.52214239e-17,
-2.76964674e-17, -1.11022302e-16, -5.55111512e-17,
-6.48633677e-21]))
('penalty', 10000)
('old_driving_force', -38201.114191504115, 1.1102230246251565e-16)
('sublsum', -9.1714511707371188e-05)
(1.0, -38201.11426550024, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.99999994e-01 7.30017376e-10 5.76404161e-09], NP=0.16000000071877452), CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 9.25635074e-11], NP=0.8399999992812255)])
('step', array([ -5.45234139e-09, 6.95135055e-10, 4.75720630e-09,
0.00000000e+00, 4.41511837e-10, 4.73070595e-10,
-9.14582468e-10, 4.28639367e-10, 4.60599310e-10,
-8.89238649e-10, 1.51532687e-09, -1.51532668e-09]))
('conv_angle', 81.113959213618372)
('Site fractions', array([ 9.99999994e-01, 7.30017376e-10, 5.76404161e-09,
1.00000000e+00, 9.99999999e-01, 5.02299258e-10,
8.41033248e-11, 4.56583231e-10, 9.99999999e-01,
1.09483873e-10]))
('Phase fractions', array([ 0.16, 0.84]))
('Chemical potentials', array([ -29833.94734334, -59716.68590769, -171690.7594806 ]))
('Chem pot progress', array([ -2.37887139e-02, 6.13659887e-02, -4.97612251e+06]))
('Energy progress', -7.399613969027996e-05)
('Driving force', 1.7718390154186636e-05)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.99999994e-01 7.30017376e-10 5.76404161e-09], NP=0.16000000071877452), CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 9.25635074e-11], NP=0.8399999992812255)])
('reduced_hessian eigenvalues', array([ 4.41682667e+11, 9.65407449e+11, 1.82133716e+12,
2.93105806e+12, 1.75299587e+13]))
('NEW_L_MULTIPLIERS', array([ 1161.34825337, -3612.08012745, -12655.89512445,
-14674.60066484, -29833.92502835, -59716.74584122,
-192466.57706175]))
('L_CONSTRAINTS', array([ 3.26804609e-17, 0.00000000e+00, -1.00404097e-17,
6.18308781e-18, 1.11022302e-16, 5.55111512e-17,
8.58181212e-18]))
('penalty', 10000)
('old_driving_force', -38201.11426550024, 1.1102230246251565e-16)
('sublsum', -0.00075308223542642138)
(1.0, -38201.114915152728, 6.0326654699987099e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.99999980e-01 1.30617321e-08 6.44318452e-09], NP=0.16000001322900403), CompositionSet(LAVES_C15, [ 6.66666664e-01 3.33333336e-01 1.00000000e-12], NP=0.8399999867709957)])
('step', array([ -1.30108577e-08, 1.23317148e-08, 6.79142902e-10,
0.00000000e+00, -6.59475566e-09, 6.70439140e-09,
-1.09635728e-10, 5.73115707e-09, -5.56234659e-09,
-1.68810488e-10, 1.25102295e-08, -1.25102297e-08]))
('conv_angle', 64.943261462424147)
('Site fractions', array([ 9.99999980e-01, 1.30617321e-08, 6.44318452e-09,
1.00000000e+00, 9.99999993e-01, 7.20669066e-09,
1.00000000e-12, 6.18774030e-09, 9.99999994e-01,
1.00000000e-12]))
('Phase fractions', array([ 0.16000001, 0.83999999]))
('Chemical potentials', array([ -29833.92502835, -59716.74584122, -192466.57706175]))
('Chem pot progress', array([ 2.23149981e-02, -5.99335248e-02, -2.07758176e+04]))
('Energy progress', -0.000658170371025335)
('Driving force', 0.00010102293163072318)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.99999980e-01 1.30617321e-08 6.44318452e-09], NP=0.16000001322900403), CompositionSet(LAVES_C15, [ 6.66666664e-01 3.33333336e-01 1.00000000e-12], NP=0.8399999867709957)])
('reduced_hessian eigenvalues', array([ 3.04032835e+10, 7.38661874e+10, 1.92628674e+11,
9.53778250e+13, 1.13544881e+15]))
('NEW_L_MULTIPLIERS', array([ 1161.35236769, -3612.08385555, -12655.88028802,
-14674.60159261, -29833.94343196, -59716.72516714,
-192763.29657322]))
('L_CONSTRAINTS', array([ -3.54573244e-17, 0.00000000e+00, 2.65324320e-11,
6.03266547e-11, -2.22044605e-16, 1.11022302e-16,
3.17496079e-11]))
('penalty', 10000)
('old_driving_force', -38201.114915143306, 6.0326654699987099e-11)
('sublsum', -0.0075644200982704687)
(1.0, -38201.121343860003, 2.5202062658991053e-14)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.99999798e-01 1.96030651e-07 6.22129319e-09], NP=0.16000017865672303), CompositionSet(LAVES_C15, [ 6.66666633e-01 3.33333367e-01 5.46659705e-12], NP=0.8399998213432769)])
('step', array([ -1.82747027e-07, 1.82968919e-07, -2.21891326e-10,
0.00000000e+00, -7.70262377e-08, 7.69952509e-08,
4.45435662e-12, 6.15416051e-08, -6.16064228e-08,
4.49107791e-12, 1.65427719e-07, -1.65427719e-07]))
('conv_angle', 67.44259182608846)
('Site fractions', array([ 9.99999798e-01, 1.96030651e-07, 6.22129319e-09,
1.00000000e+00, 9.99999916e-01, 8.42019416e-08,
5.45435662e-12, 6.77293454e-08, 9.99999932e-01,
5.49107791e-12]))
('Phase fractions', array([ 0.16000018, 0.83999982]))
('Chemical potentials', array([ -29833.94343196, -59716.72516714, -192763.29657322]))
('Chem pot progress', array([ -1.84036165e-02, 2.06740815e-02, -2.96719511e+02]))
('Energy progress', -0.006420190635253675)
('Driving force', 0.0011368800915079191)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.99999798e-01 1.96030651e-07 6.22129319e-09], NP=0.16000017865672303), CompositionSet(LAVES_C15, [ 6.66666633e-01 3.33333367e-01 5.46659705e-12], NP=0.8399998213432769)])
('reduced_hessian eigenvalues', array([ 2.14674870e+09, 6.12411388e+09, 1.71467580e+10,
2.55358168e+13, 3.02420687e+14]))
('NEW_L_MULTIPLIERS', array([ 1161.39367102, -3612.1243503 , -12655.73568574,
-14674.62301229, -29834.12258012, -59716.4750056 ,
-192813.8247173 ]))
('L_CONSTRAINTS', array([ -9.04972648e-18, 0.00000000e+00, 3.61110374e-18,
2.58561824e-17, -2.52020627e-14, 2.52020627e-14,
-3.74458544e-17]))
('penalty', 10000)
('old_driving_force', -38201.121343860003, 2.5202062658991053e-14)
('sublsum', -0.060078372191416471)
(1.0, -38201.171279662878, 3.4573455209852e-12)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.99997583e-01 2.41109905e-06 6.18176789e-09], NP=0.16000197579186842), CompositionSet(LAVES_C15, [ 6.66666342e-01 3.33333658e-01 1.29819814e-11], NP=0.8399980242081315)])
('step', array([ -2.21502888e-06, 2.21506840e-06, -3.95252978e-11,
0.00000000e+00, -6.92626942e-07, 6.92619478e-07,
7.46442108e-12, 5.11540471e-07, -5.11548088e-07,
7.61731077e-12, 1.79713515e-06, -1.79713515e-06]))
('conv_angle', 68.878577710668395)
('Site fractions', array([ 9.99997583e-01, 2.41109905e-06, 6.18176789e-09,
1.00000000e+00, 9.99999223e-01, 7.76821420e-07,
1.29187777e-11, 5.79269816e-07, 9.99999421e-01,
1.31083887e-11]))
('Phase fractions', array([ 0.16000198, 0.83999802]))
('Chemical potentials', array([ -29834.12258012, -59716.4750056 , -192813.8247173 ]))
('Chem pot progress', array([ -0.17914816, 0.25016154, -50.52814408]))
('Energy progress', -0.04993597407883499)
('Driving force', 0.010142500956135336)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.99997583e-01 2.41109905e-06 6.18176789e-09], NP=0.16000197579186842), CompositionSet(LAVES_C15, [ 6.66666342e-01 3.33333658e-01 1.29819814e-11], NP=0.8399980242081315)])
('reduced_hessian eigenvalues', array([ 1.81666551e+08, 6.55441279e+08, 1.95064420e+09,
1.07189270e+13, 1.25865226e+14]))
('NEW_L_MULTIPLIERS', array([ 1161.71339687, -3612.4708657 , -12654.65464932,
-14674.84119092, -29835.44713187, -59714.33499106,
-192855.86241359]))
('L_CONSTRAINTS', array([ -2.08032400e-17, 0.00000000e+00, 4.81098752e-17,
-1.45720068e-17, -3.45723450e-12, 3.45734552e-12,
-8.45383175e-17]))
('penalty', 10000)
('old_driving_force', -38201.171279662893, 3.4573455209852e-12)
('sublsum', -0.36461540315501328)
(1.0, -38201.466236410939, 2.9423125047500776e-10)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.99976386e-01 2.36076651e-05 6.14581815e-09], NP=0.16001735561230948), CompositionSet(LAVES_C15, [ 6.66664276e-01 3.33335724e-01 1.97168060e-11], NP=0.8399826443876904)])
('step', array([ -2.11965301e-05, 2.11965661e-05, -3.59497414e-11,
0.00000000e+00, -4.66412324e-06, 4.66411658e-06,
6.65683443e-12, 3.13150162e-06, -3.13150851e-06,
6.89080500e-12, 1.53798204e-05, -1.53798204e-05]))
('conv_angle', 70.433828063932125)
('Site fractions', array([ 9.99976386e-01, 2.36076651e-05, 6.14581815e-09,
1.00000000e+00, 9.99994559e-01, 5.44093800e-06,
1.95756121e-11, 3.71077144e-06, 9.99996289e-01,
1.99991937e-11]))
('Phase fractions', array([ 0.16001736, 0.83998264]))
('Chemical potentials', array([ -29835.44713187, -59714.33499106, -192855.86241359]))
('Chem pot progress', array([ -1.32455175, 2.14001454, -42.03769629]))
('Energy progress', -0.29497125143097946)
('Driving force', 0.069653170379751828)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.99976386e-01 2.36076651e-05 6.14581815e-09], NP=0.16001735561230948), CompositionSet(LAVES_C15, [ 6.66664276e-01 3.33335724e-01 1.97168060e-11], NP=0.8399826443876904)])
('reduced_hessian eigenvalues', array([ 1.90517603e+07, 9.37335793e+07, 2.95819821e+08,
7.09028734e+12, 8.26091514e+13]))
('NEW_L_MULTIPLIERS', array([ 1163.53630723, -3614.72069922, -12648.74736091,
-14676.09340596, -29842.47796877, -59701.80034363,
-192867.86604317]))
('L_CONSTRAINTS', array([ 4.19456473e-17, 0.00000000e+00, -5.21326196e-17,
-3.08181191e-17, -2.94230529e-10, 2.94231250e-10,
-6.56481765e-16]))
('penalty', 10000)
('old_driving_force', -38201.466236416694, 2.9423125047500776e-10)
('sublsum', -1.6221345542215615)
(1.0, -38202.734813195544, 1.4335036158108494e-08)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.99822564e-01 1.77430174e-04 6.13160708e-09], NP=0.1601172641178293), CompositionSet(LAVES_C15, [ 6.66653935e-01 3.33346065e-01 2.16961628e-11], NP=0.8398827358821706)])
('step', array([ -1.53822494e-04, 1.53822508e-04, -1.42110741e-11,
0.00000000e+00, -2.20902611e-05, 2.20902591e-05,
1.95843165e-12, 1.31579105e-05, -1.31579126e-05,
2.02120704e-12, 9.99085055e-05, -9.99085055e-05]))
('conv_angle', 71.523283487538905)
('Site fractions', array([ 9.99822564e-01, 1.77430174e-04, 6.13160708e-09,
1.00000000e+00, 9.99972469e-01, 2.75311971e-05,
2.15340438e-11, 1.68686820e-05, 9.99983131e-01,
2.20204007e-11]))
('Phase fractions', array([ 0.16011726, 0.83988274]))
('Chemical potentials', array([ -29842.47796877, -59701.80034363, -192867.86604317]))
('Chem pot progress', array([ -7.0308369 , 12.53464743, -12.00362958]))
('Energy progress', -1.2692768437118502)
('Driving force', 0.35329686063778354)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.99822564e-01 1.77430174e-04 6.13160708e-09], NP=0.1601172641178293), CompositionSet(LAVES_C15, [ 6.66653935e-01 3.33346065e-01 2.16961628e-11], NP=0.8398827358821706)])
('reduced_hessian eigenvalues', array([ 2.57140202e+06, 1.87494419e+07, 6.31100053e+07,
6.46136332e+12, 7.50328560e+13]))
('NEW_L_MULTIPLIERS', array([ 1170.75946163, -3625.30682522, -12626.58818828,
-14679.52332758, -29867.16802374, -59654.89565195,
-192852.59361751]))
('L_CONSTRAINTS', array([ 1.07717883e-17, 0.00000000e+00, 4.32198539e-17,
1.52075578e-17, -1.43350346e-08, 1.43350362e-08,
-1.61756953e-15]))
('penalty', 10000)
('old_driving_force', -38202.734814221862, 1.4335036158108494e-08)
('sublsum', -4.9961908663117134)
(1.0, -38206.472601599067, 3.6097210692753734e-07)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.99020869e-01 9.79124936e-04 6.11283814e-09], NP=0.16058719844709984), CompositionSet(LAVES_C15, [ 6.66620374e-01 3.33379626e-01 2.18576041e-11], NP=0.8394128015529001)])
('step', array([ -8.01694743e-04, 8.01694762e-04, -1.87689381e-11,
0.00000000e+00, -6.73926015e-05, 6.73926013e-05,
2.27738519e-13, 3.41001764e-05, -3.41001764e-05,
2.88468626e-14, 4.69934329e-04, -4.69934329e-04]))
('conv_angle', 71.569320597661786)
('Site fractions', array([ 9.99020869e-01, 9.79124936e-04, 6.11283814e-09,
1.00000000e+00, 9.99905076e-01, 9.49237984e-05,
2.17617823e-11, 5.09688584e-05, 9.99949031e-01,
2.20492476e-11]))
('Phase fractions', array([ 0.1605872, 0.8394128]))
('Chemical potentials', array([ -29867.16802374, -59654.89565195, -192852.59361751]))
('Chem pot progress', array([-24.69005497, 46.90469167, 15.27242566]))
('Energy progress', -3.7550456480894354)
('Driving force', 1.2521015843594796)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.99020869e-01 9.79124936e-04 6.11283814e-09], NP=0.16058719844709984), CompositionSet(LAVES_C15, [ 6.66620374e-01 3.33379626e-01 2.18576041e-11], NP=0.8394128015529001)])
('reduced_hessian eigenvalues', array([ 4.65953827e+05, 5.54013716e+06, 2.02125178e+07,
6.45411047e+12, 7.46463568e+13]))
('NEW_L_MULTIPLIERS', array([ 1189.34435987, -3659.19080897, -12573.88986155,
-14678.59016264, -29917.63024624, -59555.46820687,
-192756.90420217]))
('L_CONSTRAINTS', array([ -1.68123103e-17, 0.00000000e+00, -4.77211503e-17,
1.07293776e-16, -3.60972098e-07, 3.60972107e-07,
-8.89597634e-15]))
('penalty', 10000)
('old_driving_force', -38206.47265570506, 3.6097210692753734e-07)
('sublsum', -9.7361233764642847)
(1.0, -38213.284719690055, 4.1011118136480285e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.96234239e-01 3.76575448e-03 6.05419565e-09], NP=0.16209275853230204), CompositionSet(LAVES_C15, [ 6.66557722e-01 3.33442278e-01 2.21623308e-11], NP=0.837907241467698)])
('step', array([ -2.78662949e-03, 2.78662955e-03, -5.86424872e-11,
0.00000000e+00, -1.16791124e-04, 1.16791123e-04,
4.48505716e-13, 4.56261330e-05, -4.56261330e-05,
1.71689072e-14, 1.50556009e-03, -1.50556009e-03]))
('conv_angle', 69.806989384020667)
('Site fractions', array([ 9.96234239e-01, 3.76575448e-03, 6.05419565e-09,
1.00000000e+00, 9.99788285e-01, 2.11714922e-04,
2.22102880e-11, 9.65949914e-05, 9.99903405e-01,
2.20664165e-11]))
('Phase fractions', array([ 0.16209276, 0.83790724]))
('Chemical potentials', array([ -29917.63024624, -59555.46820687, -192756.90420217]))
('Chem pot progress', array([-50.46222249, 99.42744508, 95.68941534]))
('Energy progress', -6.997716420708457)
('Driving force', 2.8582961255669943)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.96234239e-01 3.76575448e-03 6.05419565e-09], NP=0.16209275853230204), CompositionSet(LAVES_C15, [ 6.66557722e-01 3.33442278e-01 2.21623308e-11], NP=0.837907241467698)])
('reduced_hessian eigenvalues', array([ 1.19931240e+05, 2.52984078e+06, 1.03029101e+07,
6.49139444e+12, 7.39430598e+13]))
('NEW_L_MULTIPLIERS', array([ 1217.5477787 , -3726.14145864, -12502.71059652,
-14650.22439071, -29963.29944974, -59463.95189152,
-192498.7399776 ]))
('L_CONSTRAINTS', array([ 3.08566633e-17, 0.00000000e+00, -3.81308817e-17,
-4.32782344e-17, -4.10111172e-06, 4.10111181e-06,
-8.87485396e-14]))
('penalty', 10000)
('old_driving_force', -38213.285282303179, 4.1011118136480285e-06)
('sublsum', -10.067242886485749)
(1.0, -38219.552015905341, 1.6886984975095221e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.90499318e-01 9.50067561e-03 5.93994418e-09], NP=0.1650661648539521), CompositionSet(LAVES_C15, [ 6.66502140e-01 3.33497860e-01 2.29648040e-11], NP=0.8349338351460477)])
('step', array([ -5.73492101e-03, 5.73492112e-03, -1.14251468e-10,
0.00000000e+00, -9.48662463e-05, 9.48662454e-05,
9.39874730e-13, 2.29886285e-05, -2.29886290e-05,
5.27670010e-13, 2.97340632e-03, -2.97340632e-03]))
('conv_angle', 65.400859850186791)
('Site fractions', array([ 9.90499318e-01, 9.50067561e-03, 5.93994418e-09,
1.00000000e+00, 9.99693419e-01, 3.06581167e-04,
2.31501627e-11, 1.19583620e-04, 9.99880416e-01,
2.25940865e-11]))
('Phase fractions', array([ 0.16506616, 0.83493384]))
('Chemical potentials', array([ -29963.29944974, -59463.95189152, -192498.7399776 ]))
('Chem pot progress', array([ -45.6692035 , 91.51631535, 258.16422457]))
('Energy progress', -6.899642624506669)
('Driving force', 3.5925403659202857)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.90499318e-01 9.50067561e-03 5.93994418e-09], NP=0.1650661648539521), CompositionSet(LAVES_C15, [ 6.66502140e-01 3.33497860e-01 2.29648040e-11], NP=0.8349338351460477)])
('reduced_hessian eigenvalues', array([ 4.77332888e+04, 1.75862780e+06, 8.08545241e+06,
6.50594511e+12, 7.15266472e+13]))
('NEW_L_MULTIPLIERS', array([ 1238.41305736, -3792.10231704, -12457.81192898,
-14599.43513915, -29965.06628142, -59460.18376697,
-192212.65323056]))
('L_CONSTRAINTS', array([ 4.04365927e-17, 0.00000000e+00, 2.18579690e-17,
4.87504746e-17, -1.68869846e-05, 1.68869850e-05,
-3.42102129e-13]))
('penalty', 10000)
('old_driving_force', -38219.552109373966, 1.6886984975095221e-05)
('sublsum', -3.7473041215912666)
(1.0, -38221.707611837082, 1.6224784478879872e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.84937516e-01 1.50624778e-02 5.83248870e-09], NP=0.16799142391606428), CompositionSet(LAVES_C15, [ 6.66486782e-01 3.33513218e-01 2.38878346e-11], NP=0.8320085760839357)])
('step', array([ -5.56180205e-03, 5.56180216e-03, -1.07455486e-10,
0.00000000e+00, -2.45087136e-05, 2.45087126e-05,
9.39454355e-13, 2.94181755e-06, -2.94181844e-06,
8.90183025e-13, 2.92525906e-03, -2.92525906e-03]))
('conv_angle', 60.15610891836976)
('Site fractions', array([ 9.84937516e-01, 1.50624778e-02, 5.83248870e-09,
1.00000000e+00, 9.99668910e-01, 3.31089880e-04,
2.40896171e-11, 1.22525437e-04, 9.99877475e-01,
2.34842695e-11]))
('Phase fractions', array([ 0.16799142, 0.83200858]))
('Chemical potentials', array([ -29965.06628142, -59460.18376697, -192212.65323056]))
('Chem pot progress', array([ -1.76683168, 3.76812455, 286.08674704]))
('Energy progress', -2.1227267758295056)
('Driving force', 1.6672320954094175)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.84937516e-01 1.50624778e-02 5.83248870e-09], NP=0.16799142391606428), CompositionSet(LAVES_C15, [ 6.66486782e-01 3.33513218e-01 2.38878346e-11], NP=0.8320085760839357)])
('reduced_hessian eigenvalues', array([ 3.08445478e+04, 1.61556453e+06, 7.80586774e+06,
6.48504011e+12, 6.85657170e+13]))
('NEW_L_MULTIPLIERS', array([ 1243.4863076 , -3813.52575898, -12448.58325326,
-14577.91714143, -29956.17226381, -59477.94357815,
-192120.01670983]))
('L_CONSTRAINTS', array([ -2.57633756e-17, 0.00000000e+00, -4.69861555e-17,
5.49542288e-17, -1.62247842e-05, 1.62247845e-05,
-3.17035279e-13]))
('penalty', 10000)
('old_driving_force', -38221.70717938443, 1.6224784478879872e-05)
('sublsum', -0.22779560190408976)
(1.0, -38222.116965912355, 1.6038923756900303e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.83240998e-01 1.67589959e-02 5.80008877e-09], NP=0.16893668915930568), CompositionSet(LAVES_C15, [ 6.66487028e-01 3.33512972e-01 2.42114806e-11], NP=0.8310633108406943)])
('step', array([ -1.69651810e-03, 1.69651813e-03, -3.23999252e-11,
0.00000000e+00, 1.20339890e-07, -1.20340187e-07,
2.97791048e-13, 4.98005966e-07, -4.98006342e-07,
3.75356082e-13, 9.45265243e-04, -9.45265243e-04]))
('conv_angle', 60.717503623103369)
('Site fractions', array([ 9.83240998e-01, 1.67589959e-02, 5.80008877e-09,
1.00000000e+00, 9.99669030e-01, 3.30969539e-04,
2.43874081e-11, 1.23023443e-04, 9.99876977e-01,
2.38596256e-11]))
('Phase fractions', array([ 0.16893669, 0.83106331]))
('Chemical potentials', array([ -29956.17226381, -59477.94357815, -192120.01670983]))
('Chem pot progress', array([ 8.89401761, -17.75981118, 92.63652073]))
('Energy progress', 0.31426590082992334)
('Driving force', 0.11935023230034858)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.83240998e-01 1.67589959e-02 5.80008877e-09], NP=0.16893668915930568), CompositionSet(LAVES_C15, [ 6.66487028e-01 3.33512972e-01 2.42114806e-11], NP=0.8310633108406943)])
('reduced_hessian eigenvalues', array([ 2.80157274e+04, 1.60826551e+06, 7.76990813e+06,
6.47207733e+12, 6.75020026e+13]))
('NEW_L_MULTIPLIERS', array([ 1243.69361276, -3814.65899553, -12448.24378846,
-14576.64308932, -29955.43176125, -59479.42339663,
-192115.30824398]))
('L_CONSTRAINTS', array([ -3.70455650e-18, 0.00000000e+00, -3.71607345e-17,
-6.63906397e-17, -1.60389234e-06, 1.60389238e-06,
-3.09325052e-14]))
('penalty', 10000)
('old_driving_force', -38222.116962351203, 1.6038923756900303e-06)
('sublsum', -0.00050964371202889629)
(1.0, -38222.149211898526, 4.1732711730801952e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.83157016e-01 1.68429780e-02 5.79848545e-09], NP=0.16898633448193426), CompositionSet(LAVES_C15, [ 6.66487108e-01 3.33512892e-01 2.42295864e-11], NP=0.8310136655180658)])
('step', array([ -8.39820685e-05, 8.39820701e-05, -1.60332146e-12,
0.00000000e+00, 1.00091023e-07, -1.00091038e-07,
1.53691155e-14, 3.87597123e-08, -3.87597359e-08,
2.35790482e-14, 4.96453226e-05, -4.96453226e-05]))
('conv_angle', 63.045962620383001)
('Site fractions', array([ 9.83157016e-01, 1.68429780e-02, 5.79848545e-09,
1.00000000e+00, 9.99669131e-01, 3.30869448e-04,
2.44027773e-11, 1.23062203e-04, 9.99876938e-01,
2.38832047e-11]))
('Phase fractions', array([ 0.16898633, 0.83101367]))
('Chemical potentials', array([ -29955.43176125, -59479.42339663, -192115.30824398]))
('Chem pot progress', array([ 0.74050256, -1.47981848, 4.70846585]))
('Energy progress', 0.04697492322156904)
('Driving force', 0.00028595253388630226)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.83157016e-01 1.68429780e-02 5.79848545e-09], NP=0.16898633448193426), CompositionSet(LAVES_C15, [ 6.66487108e-01 3.33512892e-01 2.42295864e-11], NP=0.8310136655180658)])
('reduced_hessian eigenvalues', array([ 2.78919183e+04, 1.60828987e+06, 7.76764181e+06,
6.47109401e+12, 6.74402331e+13]))
('NEW_L_MULTIPLIERS', array([ 1243.69393934, -3814.66163372, -12448.24317241,
-14576.6402815 , -29955.42997833, -59479.42696004,
-192115.29635402]))
('L_CONSTRAINTS', array([ 1.38225619e-17, 0.00000000e+00, -9.93965327e-18,
-2.40705580e-17, -4.17327095e-09, 4.17327117e-09,
-8.04966723e-17]))
('penalty', 10000)
('old_driving_force', -38222.149211898504, 4.1732711730801952e-09)
('sublsum', -2.1695401630850274e-09)
(1.0, -38222.149295364652, 1.8318679906315083e-14)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.83156843e-01 1.68431516e-02 5.79848205e-09], NP=0.16898643982956196), CompositionSet(LAVES_C15, [ 6.66487108e-01 3.33512892e-01 2.42296436e-11], NP=0.8310135601704379)])
('step', array([ -1.73628041e-07, 1.73628044e-07, -3.40460018e-15,
0.00000000e+00, 2.28764847e-10, -2.28764885e-10,
4.75492265e-17, 9.70229034e-11, -9.70229558e-11,
7.64634308e-17, 1.05347628e-07, -1.05347628e-07]))
('conv_angle', 66.629256871700392)
('Site fractions', array([ 9.83156843e-01, 1.68431516e-02, 5.79848205e-09,
1.00000000e+00, 9.99669131e-01, 3.30869220e-04,
2.44028248e-11, 1.23062300e-04, 9.99876938e-01,
2.38832811e-11]))
('Phase fractions', array([ 0.16898644, 0.83101356]))
('Chemical potentials', array([ -29955.42997833, -59479.42696004, -192115.29635402]))
('Chem pot progress', array([ 0.00178293, -0.00356342, 0.01188995]))
('Energy progress', 0.00012320998939685524)
('Driving force', 1.1423253454267979e-09)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.83156843e-01 1.68431516e-02 5.79848205e-09], NP=0.16898643982956196), CompositionSet(LAVES_C15, [ 6.66487108e-01 3.33512892e-01 2.42296436e-11], NP=0.8310135601704379)])
('reduced_hessian eigenvalues', array([ 2.78922000e+04, 1.60828956e+06, 7.76763510e+06,
6.47108692e+12, 6.74400393e+13]))
('NEW_L_MULTIPLIERS', array([ 1243.69393921, -3814.66163431, -12448.24317242,
-14576.6402815 , -29955.42997832, -59479.42696006,
-192115.29635258]))
('L_CONSTRAINTS', array([ 2.66276313e-17, 0.00000000e+00, 4.84515950e-17,
5.23928728e-17, -1.83186799e-14, 1.83186799e-14,
-3.60857542e-22]))
('penalty', 10000)
('old_driving_force', -38222.149295364652, 1.8318679906315083e-14)
('sublsum', -7.221911677353574e-20)
(1.0, -38222.149295365023, 5.2442485367446742e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.83156843e-01 1.68431516e-02 5.79848205e-09], NP=0.168986439829083), CompositionSet(LAVES_C15, [ 6.66487108e-01 3.33512892e-01 2.42296436e-11], NP=0.8310135601709169)])
('step', array([ 1.00187219e-12, -1.00189865e-12, -1.66058180e-19,
0.00000000e+00, 1.01675662e-15, -1.06523970e-15,
3.14889024e-20, 3.33978934e-16, -3.86421419e-16,
4.96125716e-20, -4.78954844e-13, 4.79000700e-13]))
('conv_angle', 89.604072185089009)
('Site fractions', array([ 9.83156843e-01, 1.68431516e-02, 5.79848205e-09,
1.00000000e+00, 9.99669131e-01, 3.30869220e-04,
2.44028248e-11, 1.23062300e-04, 9.99876938e-01,
2.38832812e-11]))
('Phase fractions', array([ 0.16898644, 0.83101356]))
('Chemical potentials', array([ -29955.42997832, -59479.42696006, -192115.29635258]))
('Chem pot progress', array([ 7.87622412e-09, -1.61599019e-08, 1.44014484e-06]))
('Energy progress', 5.456968210637569e-10)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 8.88888889e-01 1.00000000e-12 1.11111111e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e+00 1.00000000e-12 1.00000000e-12], NP=0.16000000000047981), CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=0.8399999999995205)])
('reduced_hessian eigenvalues', array([ 1.61682606e+14, 3.26368981e+14, 6.84637706e+14,
1.03671141e+15, 1.51469951e+15]))
('NEW_L_MULTIPLIERS', array([ 1.33492911e+03, -3.46148322e+03, -1.16269267e+04,
-1.45612660e+04, -3.17093409e+04, -6.03639588e+04,
5.03124934e+13]))
('L_CONSTRAINTS', array([ -1.77801169e-16, 0.00000000e+00, -1.77801169e-16,
-1.99922887e-16, 1.00000000e-02, 5.55111512e-17,
-1.00000000e-02]))
('penalty', 10000)
('old_driving_force', 503124895905.80231, 0.009999999999000031)
('sublsum', -503124935826.44061)
(1.0, -38515.737015152794, 2.8000000085404153e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.31933178e-11 1.00000000e-02], NP=0.1516000000432134), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8483999999567866)])
('step', array([ -1.00000000e-02, 3.21933178e-11, 1.00000000e-02,
0.00000000e+00, -1.00000000e-02, 2.88396804e-11,
1.00000000e-02, 2.72112463e-11, -1.00000000e-02,
1.00000000e-02, -8.39999996e-03, 8.39999996e-03]))
('conv_angle', 55.3593196555669)
('Site fractions', array([ 9.90000000e-01, 3.31933178e-11, 1.00000000e-02,
1.00000000e+00, 9.90000000e-01, 2.98396804e-11,
1.00000000e-02, 2.82112463e-11, 9.90000000e-01,
1.00000000e-02]))
('Phase fractions', array([ 0.1516, 0.8484]))
('Chemical potentials', array([ -3.17093409e+04, -6.03639588e+04, 5.03124934e+13]))
('Chem pot progress', array([ -1.87541752e+03, -6.47211558e+02, 5.03124934e+13]))
('Energy progress', 121.49641893643275)
('Driving force', -503124932740.89203)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.31933178e-11 1.00000000e-02], NP=0.1516000000432134), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8483999999567866)])
('reduced_hessian eigenvalues', array([ -2.38477391e+13, 6.36983192e+12, 2.67608204e+13,
3.90777145e+13, 4.64926543e+13]))
('reduced_hessian modified eigenvalues', array([ 6.36983192e+12, 2.38477391e+13, 2.67608204e+13,
3.90777145e+13, 4.64926543e+13]))
('NEW_L_MULTIPLIERS', array([ 7.97970379e+08, 1.60091641e+08, -8.04804476e+08,
1.19600489e+07, 1.76296952e+09, -2.13906839e+09,
-6.96493623e+08]))
('L_CONSTRAINTS', array([ -5.20417043e-17, 0.00000000e+00, 6.93889390e-18,
-5.55111512e-17, 2.80000001e-05, -2.80000000e-05,
-4.85150115e-14]))
('penalty', 10000)
('old_driving_force', -147774.43744704491, 2.8000000085404153e-05)
('sublsum', 109257.05073152948)
(1.0, -13377.67656853619, 1.2475232016671139e-05)
(0.5, -80578.136018452584, 1.3999314594337342e-05)
(0.25, -114176.81235569365, 2.0999828701961931e-05)
(0.125, -130975.77896022593, 2.4499957234302983e-05)
(0.0625, -139375.16893812644, 2.6249989370064064e-05)
(0.03125, -143574.84037941668, 2.7124997405203466e-05)
(0, -147774.43744704491, 2.8000000085404153e-05)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.31933178e-11 1.00000000e-02], NP=0.1516000000432134), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8483999999567866)])
('step', array([ 4.46677291e-05, 8.30980559e-06, -5.29775347e-05,
0.00000000e+00, -4.14387322e-05, -1.24752609e-05,
5.39139931e-05, 5.28341688e-06, 7.41450137e-05,
-7.94284306e-05, -3.88728217e-05, 3.88728217e-05]))
('conv_angle', 101.91771187120978)
('Site fractions', array([ 9.90000000e-01, 3.31933178e-11, 1.00000000e-02,
1.00000000e+00, 9.90000000e-01, 2.98396804e-11,
1.00000000e-02, 2.82112463e-11, 9.90000000e-01,
1.00000000e-02]))
('Phase fractions', array([ 0.1516, 0.8484]))
('Chemical potentials', array([ 1.76296952e+09, -2.13906839e+09, -6.96493623e+08]))
('Chem pot progress', array([ 1.76300123e+09, -2.13900803e+09, -5.03131899e+13]))
('Energy progress', 0.0)
('Driving force', -645952050.56326783)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.31933178e-11 1.00000000e-02], NP=0.1516000000432134), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8483999999567866)])
('reduced_hessian eigenvalues', array([ -1.08364910e+09, 6.75092390e+08, 1.61988915e+13,
3.17526369e+13, 4.69013880e+13]))
('reduced_hessian modified eigenvalues', array([ 6.75092390e+08, 1.08364910e+09, 1.61988915e+13,
3.17526369e+13, 4.69013880e+13]))
('NEW_L_MULTIPLIERS', array([ -4798.1725656 , 82697.06617563, -128990.45687041,
9101.40376367, 161528.78610391, -241280.0878995 ,
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('L_CONSTRAINTS', array([ -5.20417043e-17, 0.00000000e+00, 6.93889390e-18,
-5.55111512e-17, 2.80000001e-05, -2.80000000e-05,
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('penalty', 1000.0)
('old_driving_force', -38529.158245534803, 2.8000000085404153e-05)
('sublsum', 9.8701280634014648)
(1.0, -38519.342728027579, 5.2455998416495175e-09)
(0.5, -38524.25077438353, 1.4001137156660626e-05)
(0.25, -38526.704583625855, 2.1000284342487241e-05)
(0.125, -38527.931434825419, 2.4500071144517577e-05)
(0.0625, -38528.544846938792, 2.6250017847617713e-05)
(0.03125, -38528.851549569728, 2.7125004524730656e-05)
(0, -38529.158245534803, 2.8000000085404153e-05)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.31933178e-11 1.00000000e-02], NP=0.1516000000432134), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8483999999567866)])
('step', array([ -9.86754238e-05, 2.56249651e-09, 9.86728613e-05,
0.00000000e+00, 3.25743163e-06, -1.57436915e-09,
-3.25585726e-06, 1.87229885e-09, 4.63817658e-05,
-4.63836381e-05, -4.51022383e-05, 4.51022383e-05]))
('conv_angle', 100.91668509373802)
('Site fractions', array([ 9.90000000e-01, 3.31933178e-11, 1.00000000e-02,
1.00000000e+00, 9.90000000e-01, 2.98396804e-11,
1.00000000e-02, 2.82112463e-11, 9.90000000e-01,
1.00000000e-02]))
('Phase fractions', array([ 0.1516, 0.8484]))
('Chemical potentials', array([ 161528.78610391, -241280.0878995 , 115001.18512196]))
('Chem pot progress', array([ -1.76280799e+09, 2.13882711e+09, 6.96608625e+08]))
('Energy progress', 0.0)
('Driving force', -86806.239618674328)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.31933178e-11 1.00000000e-02], NP=0.1516000000432134), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8483999999567866)])
('reduced_hessian eigenvalues', array([ 1.88141756e+04, 7.65504964e+04, 1.61979723e+13,
3.17538430e+13, 4.69014666e+13]))
('NEW_L_MULTIPLIERS', array([ -4532.97648176, -9959.71113563, -8301.7689409 , -19960.95462614,
-30946.87308062, -45574.79952265, -47513.43657787]))
('L_CONSTRAINTS', array([ -5.20417043e-17, 0.00000000e+00, 6.93889390e-18,
-5.55111512e-17, 2.80000001e-05, -2.80000000e-05,
-4.85150115e-14]))
('penalty', 100.0)
('old_driving_force', -38518.339578987463, 2.8000000085404153e-05)
('sublsum', -328.65656023235397)
(1.0, -38690.086179401675, 0.0084961394212033792)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.36903769e-01 5.41498745e-10 6.30962306e-02], NP=0.18098217139047498), CompositionSet(LAVES_C15, [ 0.65802602 0.33333333 0.00864065], NP=0.8190178286095251)])
('step', array([ -5.30962311e-02, 5.08305427e-10, 5.30962306e-02,
0.00000000e+00, -2.96097594e-03, 5.78688197e-10,
2.96097536e-03, 3.08184374e-10, 3.43851349e-02,
-3.43851352e-02, 2.93821713e-02, -2.93821713e-02]))
('conv_angle', 87.786452528947507)
('Site fractions', array([ 9.36903769e-01, 5.41498745e-10, 6.30962306e-02,
1.00000000e+00, 9.87039024e-01, 6.08527877e-10,
1.29609754e-02, 3.36395620e-10, 1.00000000e+00,
1.00000000e-12]))
('Phase fractions', array([ 0.18098217, 0.81901783]))
('Chemical potentials', array([-30946.87308062, -45574.79952265, -47513.43657787]))
('Chem pot progress', array([-192475.65918454, 195705.28837685, -162514.62169983]))
('Energy progress', -212.29310611544497)
('Driving force', -3483.4272946819401)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.36903769e-01 5.41498745e-10 6.30962306e-02], NP=0.18098217139047498), CompositionSet(LAVES_C15, [ 0.65802602 0.33333333 0.00864065], NP=0.8190178286095251)])
('reduced_hessian eigenvalues', array([ 3.14758201e+04, 6.00731143e+11, 1.87055855e+12,
3.05260191e+12, 7.49062567e+14]))
('NEW_L_MULTIPLIERS', array([ 924.6531737 , -3949.50429464, -11496.21163001, -16032.99988384,
-31885.15094207, -55453.16067377, -62152.65917574]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 0.00000000e+00, 5.89805982e-17,
3.37395578e-10, -1.50208263e-03, -6.99405670e-03,
8.49613942e-03]))
('penalty', 10000)
('old_driving_force', -38467.984930419247, 0.0084961394212033792)
('sublsum', -266.51017582559882)
(1.0, -38626.801466556957, 0.0056166765077079826)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.02395773e-01 8.63602504e-09 9.76042181e-02], NP=0.1600000163844018), CompositionSet(LAVES_C15, [ 6.66666668e-01 3.33333338e-01 1.10995508e-11], NP=0.8399999836132385)])
('step', array([ -3.45079956e-02, 8.09452629e-09, 3.45079875e-02,
0.00000000e+00, 2.49058126e-02, 8.76277184e-09,
-2.49058214e-02, 4.08167427e-09, -4.44936850e-09,
3.02986525e-11, -2.09821550e-02, 2.09821550e-02]))
('conv_angle', 87.01091822829008)
('Site fractions', array([ 9.02395773e-01, 8.63602504e-09, 9.76042181e-02,
1.00000000e+00, 1.00000000e+00, 9.37129972e-09,
1.00000000e-12, 4.41806989e-09, 9.99999996e-01,
3.12986525e-11]))
('Phase fractions', array([ 0.16000002, 0.83999998]))
('Chemical potentials', array([-31885.15094207, -55453.16067377, -62152.65917574]))
('Chem pot progress', array([ -938.27786145, -9878.36115112, -14639.22259787]))
('Energy progress', -178.90941042670602)
('Driving force', 47.733603563821816)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.02395773e-01 8.63602504e-09 9.76042181e-02], NP=0.1600000163844018), CompositionSet(LAVES_C15, [ 6.66666668e-01 3.33333338e-01 1.10995508e-11], NP=0.8399999836132385)])
('reduced_hessian eigenvalues', array([ 3.46862874e+10, 7.67254875e+10, 2.27087660e+11,
1.18942696e+13, 5.11217230e+14]))
('NEW_L_MULTIPLIERS', array([ 854.03851158, -3848.81736576, -12393.37626409, -14937.1042311 ,
-30302.70110323, -58779.21296109, -69518.10709497]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 0.00000000e+00, 9.37229972e-09,
2.21217201e-17, -5.61667118e-03, -7.83851317e-11,
5.61667651e-03]))
('penalty', 10000)
('old_driving_force', -38576.544019703892, 0.0056166765077079826)
('sublsum', -29.658248004507136)
(1.0, -38702.319664576702, 6.5629533092803616e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.37499992e-01 1.29353908e-07 6.24998785e-02], NP=0.16000020334001303), CompositionSet(LAVES_C15, [ 6.66666610e-01 3.33333389e-01 2.02749571e-10], NP=0.8399997966599881)])
('step', array([ 3.51042189e-02, 1.20717883e-07, -3.51043396e-02,
0.00000000e+00, -1.08877259e-07, 9.94759162e-08,
2.90434612e-11, 4.45732830e-08, -4.50901461e-08,
5.16863138e-10, 1.86955611e-07, -1.86953250e-07]))
('conv_angle', 89.663770326959806)
('Site fractions', array([ 9.37499992e-01, 1.29353908e-07, 6.24998785e-02,
1.00000000e+00, 9.99999891e-01, 1.08847216e-07,
3.00434612e-11, 4.89913529e-08, 9.99999950e-01,
5.48161790e-10]))
('Phase fractions', array([ 0.1600002, 0.8399998]))
('Chemical potentials', array([-30302.70110323, -58779.21296109, -69518.10709497]))
('Chem pot progress', array([ 1582.44983884, -3326.05228732, -7365.44791922]))
('Energy progress', 206.8185751205965)
('Driving force', -34.041312485678645)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.37499992e-01 1.29353908e-07 6.24998785e-02], NP=0.16000020334001303), CompositionSet(LAVES_C15, [ 6.66666610e-01 3.33333389e-01 2.02749571e-10], NP=0.8399997966599881)])
('reduced_hessian eigenvalues', array([ 3.05647998e+09, 5.57315639e+09, 2.02913669e+10,
6.15376885e+11, 2.42633420e+13]))
('NEW_L_MULTIPLIERS', array([ 890.53796439, -3841.8002684 , -12301.76101622, -15028.58954499,
-30466.22339192, -58452.2926769 , -70471.41882909]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, -2.96483248e-17,
-5.89766024e-17, 6.56294152e-09, 1.29896094e-14,
-6.56295331e-09]))
('penalty', 10000)
('old_driving_force', -38702.319669760058, 6.5629533092803616e-09)
('sublsum', -0.055342076275845142)
(1.0, -38702.365627385581, 1.886713008047991e-12)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.37499236e-01 1.59788900e-06 6.24991664e-02], NP=0.1600020936433987), CompositionSet(LAVES_C15, [ 6.66666137e-01 3.33333860e-01 2.99860380e-09], NP=0.8399979063566012)])
('step', array([ -7.56477900e-07, 1.46853509e-06, -7.12057190e-07,
0.00000000e+00, -8.96335190e-07, 8.95836055e-07,
4.99135188e-10, 3.73085818e-07, -3.80475110e-07,
7.38929232e-09, 1.89030339e-06, -1.89030339e-06]))
('conv_angle', 78.993826146090939)
('Site fractions', array([ 9.37499236e-01, 1.59788900e-06, 6.24991664e-02,
1.00000000e+00, 9.99998995e-01, 1.00468327e-06,
5.29178650e-10, 4.22077171e-07, 9.99999570e-01,
7.93745411e-09]))
('Phase fractions', array([ 0.16000209, 0.83999791]))
('Chemical potentials', array([-30466.22339192, -58452.2926769 , -70471.41882909]))
('Chem pot progress', array([-163.52228869, 326.92028418, -953.31173413]))
('Energy progress', -0.04608895474666497)
('Driving force', 0.0091186632344033569)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.37499236e-01 1.59788900e-06 6.24991664e-02], NP=0.1600020936433987), CompositionSet(LAVES_C15, [ 6.66666137e-01 3.33333860e-01 2.99860380e-09], NP=0.8399979063566012)])
('reduced_hessian eigenvalues', array([ 2.84170136e+08, 5.31570134e+08, 2.32436108e+09,
4.20352041e+10, 1.39512950e+12]))
('NEW_L_MULTIPLIERS', array([ 890.80077059, -3842.12870359, -12300.95995368, -15028.51837547,
-30467.09681473, -58451.14911281, -70472.54198867]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 0.00000000e+00, 3.56881389e-17,
-2.43803462e-17, -5.35460565e-13, 1.88671301e-12,
-1.35129061e-12]))
('penalty', 10000)
('old_driving_force', -38702.365627385581, 1.886713008047991e-12)
('sublsum', -0.32028236532776527)
(1.0, -38702.623372486778, 1.625209966604757e-10)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.37491111e-01 1.57232497e-05 6.24931658e-02], NP=0.16001700616523976), CompositionSet(LAVES_C15, [ 6.66662877e-01 3.33337087e-01 3.64430104e-08], NP=0.8399829938347603)])
('step', array([ -8.12473908e-06, 1.41253607e-05, -6.00062161e-06,
0.00000000e+00, -6.04335826e-06, 6.03608152e-06,
7.27673250e-09, 2.30516107e-06, -2.39094082e-06,
8.57797549e-08, 1.49125218e-05, -1.49125218e-05]))
('conv_angle', 80.388668319528165)
('Site fractions', array([ 9.37491111e-01, 1.57232497e-05, 6.24931658e-02,
1.00000000e+00, 9.99992951e-01, 7.04076479e-06,
7.80591115e-09, 2.72723824e-06, 9.99997179e-01,
9.37172090e-08]))
('Phase fractions', array([ 0.16001701, 0.83998299]))
('Chemical potentials', array([-30467.09681473, -58451.14911281, -70472.54198867]))
('Chem pot progress', array([-0.87342281, 1.14356409, -1.12315958]))
('Energy progress', -0.25774926332815085)
('Driving force', 0.062534195378248114)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.37491111e-01 1.57232497e-05 6.24931658e-02], NP=0.16001700616523976), CompositionSet(LAVES_C15, [ 6.66662877e-01 3.33337087e-01 3.64430104e-08], NP=0.8399829938347603)])
('reduced_hessian eigenvalues', array([ 3.12844743e+07, 7.08038493e+07, 3.54022084e+08,
3.51067303e+09, 9.63456939e+10]))
('NEW_L_MULTIPLIERS', array([ 892.30013202, -3844.06938345, -12296.5970078 , -15028.47639157,
-30471.82004352, -58443.57313968, -70477.64035394]))
('L_CONSTRAINTS', array([ -2.08166817e-17, 0.00000000e+00, -4.79421078e-17,
-6.74993012e-17, -7.25378646e-11, 1.62520997e-10,
-8.99831390e-11]))
('penalty', 10000)
('old_driving_force', -38702.623372488815, 1.625209966604757e-10)
('sublsum', -1.3457276872185453)
(1.0, -38703.669258875001, 7.7658625641241485e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.37424286e-01 1.18845927e-04 6.24568682e-02], NP=0.16010567584379415), CompositionSet(LAVES_C15, [ 6.66647018e-01 3.33352628e-01 3.54405921e-07], NP=0.8398943241562058)])
('step', array([ -6.68250404e-05, 1.03122677e-04, -3.62976366e-05,
0.00000000e+00, -2.86885749e-05, 2.86022507e-05,
8.63241886e-08, 9.80105426e-06, -1.05822946e-05,
7.81240355e-07, 8.86696786e-05, -8.86696786e-05]))
('conv_angle', 81.913382828904389)
('Site fractions', array([ 9.37424286e-01, 1.18845927e-04, 6.24568682e-02,
1.00000000e+00, 9.99964263e-01, 3.56430155e-05,
9.41300998e-08, 1.25282925e-05, 9.99986597e-01,
8.74957564e-07]))
('Phase fractions', array([ 0.16010568, 0.83989432]))
('Chemical potentials', array([-30471.82004352, -58443.57313968, -70477.64035394]))
('Chem pot progress', array([-4.72322879, 7.57597313, -5.09836527]))
('Energy progress', -1.0461248450301355)
('Driving force', 0.29969935440749396)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.37424286e-01 1.18845927e-04 6.24568682e-02], NP=0.16010567584379415), CompositionSet(LAVES_C15, [ 6.66647018e-01 3.33352628e-01 3.54405921e-07], NP=0.8398943241562058)])
('reduced_hessian eigenvalues', array([ 4.29859423e+06, 1.35883962e+07, 7.53279955e+07,
3.70090107e+08, 8.21480099e+09]))
('NEW_L_MULTIPLIERS', array([ 898.30124882, -3852.30854694, -12280.26883924, -15028.58521794,
-30488.88235379, -58412.7648384 , -70490.65031675]))
('L_CONSTRAINTS', array([ -6.93889390e-18, 0.00000000e+00, -1.09396952e-17,
6.66624459e-17, -4.51916915e-09, 7.76586256e-09,
-3.24669344e-09]))
('penalty', 10000)
('old_driving_force', -38703.669259233604, 7.7658625641241485e-09)
('sublsum', -3.917399422457629)
(1.0, -38706.585972668428, 1.8759699110804107e-07)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.37043751e-01 6.59864893e-04 6.22963836e-02], NP=0.16048599026553517), CompositionSet(LAVES_C15, [ 6.66596952e-01 3.33400378e-01 2.66972069e-06], NP=0.8395140097344648)])
('step', array([ -3.80534425e-04, 5.41018966e-04, -1.60484541e-04,
0.00000000e+00, -8.80176281e-05, 8.72112010e-05,
8.06427153e-07, 2.58368621e-05, -3.11699521e-05,
5.33309001e-06, 3.80314422e-04, -3.80314422e-04]))
('conv_angle', 83.405927567492583)
('Site fractions', array([ 9.37043751e-01, 6.59864893e-04, 6.22963836e-02,
1.00000000e+00, 9.99876245e-01, 1.22854216e-04,
9.00557253e-07, 3.83651546e-05, 9.99955427e-01,
6.20804757e-06]))
('Phase fractions', array([ 0.16048599, 0.83951401]))
('Chemical potentials', array([-30488.88235379, -58412.7648384 , -70490.65031675]))
('Chem pot progress', array([-17.06231028, 30.80830128, -13.00996281]))
('Energy progress', -2.9229847993847216)
('Driving force', 0.99740450442914153)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.37043751e-01 6.59864893e-04 6.22963836e-02], NP=0.16048599026553517), CompositionSet(LAVES_C15, [ 6.66596952e-01 3.33400378e-01 2.66972069e-06], NP=0.8395140097344648)])
('reduced_hessian eigenvalues', array([ 7.82104519e+05, 3.90341977e+06, 2.33436001e+07,
5.21568543e+07, 8.98733460e+08]))
('NEW_L_MULTIPLIERS', array([ 914.06368894, -3876.1566622 , -12241.56371634, -15025.23735326,
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('L_CONSTRAINTS', array([ -1.38777878e-17, 0.00000000e+00, 1.20174917e-17,
-1.36609474e-17, -1.25681858e-07, 1.87596991e-07,
-6.19151331e-08]))
('penalty', 10000)
('old_driving_force', -38706.585990886495, 1.8759699110804107e-07)
('sublsum', -7.4019289031690754)
(1.0, -38711.785864284931, 2.0234983444389343e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.93564691 0.00255375 0.06179934], NP=0.16160145760955236), CompositionSet(LAVES_C15, [ 6.66504785e-01 3.33480225e-01 1.49907090e-05], NP=0.8383985423904476)])
('step', array([ -1.39684020e-03, 1.89388254e-03, -4.97042331e-04,
0.00000000e+00, -1.56068624e-04, 1.50387447e-04,
5.68117771e-06, 3.56358196e-05, -6.12364290e-05,
2.56006095e-05, 1.11546734e-03, -1.11546734e-03]))
('conv_angle', 84.694753141785384)
('Site fractions', array([ 9.35646911e-01, 2.55374743e-03, 6.17993413e-02,
1.00000000e+00, 9.99720177e-01, 2.73241663e-04,
6.58173496e-06, 7.40009741e-05, 9.99894190e-01,
3.18086571e-05]))
('Phase fractions', array([ 0.16160146, 0.83839854]))
('Chemical potentials', array([-30525.24808758, -58343.1061654 , -70500.01468557]))
('Chem pot progress', array([-36.36573378, 69.658673 , -9.36436882]))
('Energy progress', -5.267424522877263)
('Driving force', 2.1696810965513578)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.93564691 0.00255375 0.06179934], NP=0.16160145760955236), CompositionSet(LAVES_C15, [ 6.66504785e-01 3.33480225e-01 1.49907090e-05], NP=0.8383985423904476)])
('reduced_hessian eigenvalues', array([ 2.00039643e+05, 1.73805397e+06, 8.07786788e+06,
1.41046642e+07, 1.34166608e+08]))
('NEW_L_MULTIPLIERS', array([ 939.10933986, -3919.50787899, -12189.50332973, -15005.22553362,
-30561.0004154 , -58274.2999374 , -70477.4326326 ]))
('L_CONSTRAINTS', array([ -6.93889390e-18, 0.00000000e+00, 4.88246731e-17,
-4.43099875e-17, -1.45532020e-06, 2.02349834e-06,
-5.68178149e-07]))
('penalty', 10000)
('old_driving_force', -38711.786042714673, 2.0234983444389343e-06)
('sublsum', -8.0400350504811922)
(1.0, -38716.963211120921, 8.0360868033313437e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.9327113 0.00650751 0.06078119], NP=0.16365869973308717), CompositionSet(LAVES_C15, [ 6.66411946e-01 3.33527742e-01 6.03115796e-05], NP=0.8363413002669129)])
('step', array([ -2.93561285e-03, 3.95376048e-03, -1.01814764e-03,
0.00000000e+00, -1.48845547e-04, 1.20374506e-04,
2.84710413e-05, 1.91748008e-05, -9.81953299e-05,
7.90205291e-05, 2.05724212e-03, -2.05724212e-03]))
('conv_angle', 85.719945102452158)
('Site fractions', array([ 9.32711298e-01, 6.50750791e-03, 6.07811937e-02,
1.00000000e+00, 9.99571331e-01, 3.93616169e-04,
3.50527763e-05, 9.31757750e-05, 9.99795995e-01,
1.10829186e-04]))
('Phase fractions', array([ 0.1636587, 0.8363413]))
('Chemical potentials', array([-30561.0004154, -58274.2999374, -70477.4326326]))
('Chem pot progress', array([-35.75232782, 68.806228 , 22.58205297]))
('Energy progress', -5.399398827001278)
('Driving force', 2.7646708731190301)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.9327113 0.00650751 0.06078119], NP=0.16365869973308717), CompositionSet(LAVES_C15, [ 6.66411946e-01 3.33527742e-01 6.03115796e-05], NP=0.8363413002669129)])
('reduced_hessian eigenvalues', array([ 77435.37333704, 1145848.41307838, 2354814.84023667,
9498711.97028633, 31211693.08216505]))
('NEW_L_MULTIPLIERS', array([ 960.08908958, -3960.07460612, -12157.19905052, -14969.0940558 ,
-30564.07469335, -58271.83517422, -70472.90135542]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 0.00000000e+00, -1.30104261e-18,
6.47810798e-17, -5.84827459e-06, 8.03608680e-06,
-2.18781221e-06]))
('penalty', 10000)
('old_driving_force', -38716.963238993609, 8.0360868033313437e-06)
('sublsum', -4.1832734814662711)
(1.0, -38719.529976721802, 8.0661096825695999e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.92994023 0.01055205 0.05950772], NP=0.16564013546698977), CompositionSet(LAVES_C15, [ 6.66330285e-01 3.33501447e-01 1.68268061e-04], NP=0.8343598645330103)])
('step', array([ -2.77107141e-03, 4.04454589e-03, -1.27347448e-03,
0.00000000e+00, -1.23907925e-04, 3.07031699e-05,
9.32047549e-05, 2.83153051e-06, -1.40291464e-04,
1.37459934e-04, 1.98143573e-03, -1.98143573e-03]))
('conv_angle', 86.284878638904132)
('Site fractions', array([ 9.29940227e-01, 1.05520538e-02, 5.95077192e-02,
1.00000000e+00, 9.99447423e-01, 4.24319339e-04,
1.28257531e-04, 9.60073055e-05, 9.99655704e-01,
2.48289120e-04]))
('Phase fractions', array([ 0.16564014, 0.83435986]))
('Chemical potentials', array([-30564.07469335, -58271.83517422, -70472.90135542]))
('Chem pot progress', array([-3.07427795, 2.46476318, 4.53127718]))
('Energy progress', -2.5462439653783804)
('Driving force', 1.644595697587647)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.92994023 0.01055205 0.05950772], NP=0.16564013546698977), CompositionSet(LAVES_C15, [ 6.66330285e-01 3.33501447e-01 1.68268061e-04], NP=0.8343598645330103)])
('reduced_hessian eigenvalues', array([ 47625.90442295, 757003.29020491, 1178149.5532606 ,
6591672.92098007, 15312410.0562714 ]))
('NEW_L_MULTIPLIERS', array([ 968.05688837, -3972.07011104, -12153.56588922, -14947.75591967,
-30551.12162369, -58299.91354571, -70569.87915612]))
('L_CONSTRAINTS', array([ -2.08166817e-17, 0.00000000e+00, -1.02186055e-17,
-4.86806775e-17, -5.32889302e-06, 8.06610968e-06,
-2.73721667e-06]))
('penalty', 10000)
('old_driving_force', -38719.529946662304, 8.0661096825695999e-06)
('sublsum', -1.2750687493089665)
(1.0, -38720.450819553196, 1.0068459812551112e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.92947429 0.01200445 0.05852125], NP=0.16631650404699239), CompositionSet(LAVES_C15, [ 6.66215477e-01 3.33465241e-01 3.19282130e-04], NP=0.8336834959530076)])
('step', array([ -4.65934353e-04, 1.45239939e-03, -9.86465034e-04,
0.00000000e+00, -1.72630346e-04, -7.91154875e-07,
1.73421501e-04, 8.36789480e-07, -1.07035996e-04,
1.06199206e-04, 6.76368580e-04, -6.76368580e-04]))
('conv_angle', 83.631825645058157)
('Site fractions', array([ 9.29474293e-01, 1.20044532e-02, 5.85212541e-02,
1.00000000e+00, 9.99274793e-01, 4.23528184e-04,
3.01679032e-04, 9.68440950e-05, 9.99548668e-01,
3.54488326e-04]))
('Phase fractions', array([ 0.1663165, 0.8336835]))
('Chemical potentials', array([-30551.12162369, -58299.91354571, -70569.87915612]))
('Chem pot progress', array([ 12.95306966, -28.07837149, -96.9778007 ]))
('Energy progress', -0.6625529511584318)
('Driving force', 0.49998070592846489)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.92947429 0.01200445 0.05852125], NP=0.16631650404699239), CompositionSet(LAVES_C15, [ 6.66215477e-01 3.33465241e-01 3.19282130e-04], NP=0.8336834959530076)])
('reduced_hessian eigenvalues', array([ 41767.17818931, 435482.67245907, 1022791.20677332,
4656037.36523401, 13191293.53573299]))
('NEW_L_MULTIPLIERS', array([ 970.18856676, -3971.33831412, -12156.78407851, -14941.95382238,
-30544.12840033, -58313.43917544, -70667.41911714]))
('L_CONSTRAINTS', array([ 4.85722573e-17, 0.00000000e+00, 5.28006458e-17,
2.80266262e-17, -2.37490855e-07, 1.00684598e-06,
-7.69355126e-07]))
('penalty', 10000)
('old_driving_force', -38720.450879317017, 1.0068459812551112e-06)
('sublsum', -0.29724085777726311)
(1.0, -38720.637674617486, 3.0021759729256803e-08)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.92988463 0.01212962 0.05798574], NP=0.1663634136763236), CompositionSet(LAVES_C15, [ 6.66119087e-01 3.33457151e-01 4.23762386e-04], NP=0.8336365863236763)])
('step', array([ 4.10341955e-04, 1.25169197e-04, -5.35511152e-04,
0.00000000e+00, -1.44808465e-04, -1.06775151e-06,
1.45876217e-04, 4.47758737e-07, -2.21360925e-05,
2.16883338e-05, 4.69096293e-05, -4.69096293e-05]))
('conv_angle', 77.811721418219022)
('Site fractions', array([ 9.29884635e-01, 1.21296224e-02, 5.79857430e-02,
1.00000000e+00, 9.99129984e-01, 4.22460432e-04,
4.47555249e-04, 9.72918537e-05, 9.99526531e-01,
3.76176660e-04]))
('Phase fractions', array([ 0.16636341, 0.83363659]))
('Chemical potentials', array([-30544.12840033, -58313.43917544, -70667.41911714]))
('Chem pot progress', array([ 6.99322336, -13.52562973, -97.53996102]))
('Energy progress', -0.16913747520447941)
('Driving force', 0.13004947637091391)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.92988463 0.01212962 0.05798574], NP=0.1663634136763236), CompositionSet(LAVES_C15, [ 6.66119087e-01 3.33457151e-01 4.23762386e-04], NP=0.8336365863236763)])
('reduced_hessian eigenvalues', array([ 41199.8309411 , 331114.93453772, 997441.73104822,
4162389.31975304, 12841234.57763961]))
('NEW_L_MULTIPLIERS', array([ 970.66579314, -3971.00053638, -12157.68558005, -14940.81407968,
-30542.54835504, -58316.13122105, -70692.59457155]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 0.00000000e+00, 2.23887749e-17,
2.17382536e-17, 2.37705952e-08, 6.25116447e-09,
-3.00217597e-08]))
('penalty', 10000)
('old_driving_force', -38720.637675394028, 3.0021759729256803e-08)
('sublsum', -0.013743819488637553)
(1.0, -38720.645315516645, 6.1313794666451038e-10)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.930005 0.01213752 0.05785747], NP=0.16636740467947345), CompositionSet(LAVES_C15, [ 6.66093774e-01 3.33457105e-01 4.49121094e-04], NP=0.8336325953205266)])
('step', array([ 1.20369879e-04, 7.90144555e-06, -1.28271325e-04,
0.00000000e+00, -3.80189528e-05, -2.25308156e-07,
3.82442609e-05, 9.97661735e-08, 3.12630139e-07,
-4.12396313e-07, 3.99100315e-06, -3.99100315e-06]))
('conv_angle', 77.503000279421514)
('Site fractions', array([ 9.30005004e-01, 1.21375238e-02, 5.78574717e-02,
1.00000000e+00, 9.99091965e-01, 4.22235124e-04,
4.85799510e-04, 9.73916199e-05, 9.99526844e-01,
3.75764264e-04]))
('Phase fractions', array([ 0.1663674, 0.8336326]))
('Chemical potentials', array([-30542.54835504, -58316.13122105, -70692.59457155]))
('Chem pot progress', array([ 1.58004529, -2.69204561, -25.17545441]))
('Energy progress', -0.008059971398324706)
('Driving force', 0.0066919119344674982)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.930005 0.01213752 0.05785747], NP=0.16636740467947345), CompositionSet(LAVES_C15, [ 6.66093774e-01 3.33457105e-01 4.49121094e-04], NP=0.8336325953205266)])
('reduced_hessian eigenvalues', array([ 41138.46911493, 312573.05166639, 997434.49913589,
4096585.50776721, 12796681.4802922 ]))
('NEW_L_MULTIPLIERS', array([ 970.68565321, -3970.98682394, -12157.72266004, -14940.76856454,
-30542.48316538, -58316.23499644, -70693.65036982]))
('L_CONSTRAINTS', array([ 2.08166817e-17, 0.00000000e+00, -8.94466792e-18,
5.42101086e-20, 5.81419801e-10, 3.17181836e-11,
-6.13137947e-10]))
('penalty', 10000)
('old_driving_force', -38720.645315517329, 6.1313794666451038e-10)
('sublsum', -2.2344417432922296e-05)
(1.0, -38720.645338940216, 1.1892119233802845e-12)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.93001003 0.01213784 0.05785213], NP=0.16636759063281548), CompositionSet(LAVES_C15, [ 6.66092712e-01 3.33457113e-01 4.50174988e-04], NP=0.8336324093671845)])
('step', array([ 5.02283681e-06, 3.18489947e-07, -5.34132676e-06,
0.00000000e+00, -1.59496863e-06, -8.87514622e-09,
1.60384378e-06, 4.02685776e-09, 4.19781812e-08,
-4.60050390e-08, 1.85953342e-07, -1.85953342e-07]))
('conv_angle', 77.391801118268077)
('Site fractions', array([ 9.30010027e-01, 1.21378423e-02, 5.78521303e-02,
1.00000000e+00, 9.99090370e-01, 4.22226249e-04,
4.87403353e-04, 9.73956467e-05, 9.99526886e-01,
3.75718259e-04]))
('Phase fractions', array([ 0.16636759, 0.83363241]))
('Chemical potentials', array([-30542.48316538, -58316.23499644, -70693.65036982]))
('Chem pot progress', array([ 0.06518966, -0.10377539, -1.05579827]))
('Energy progress', -3.487504000077024e-05)
('Driving force', 1.1159288987983018e-05)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.93001003 0.01213784 0.05785213], NP=0.16636759063281548), CompositionSet(LAVES_C15, [ 6.66092712e-01 3.33457113e-01 4.50174988e-04], NP=0.8336324093671845)])
('reduced_hessian eigenvalues', array([ 41137.27160046, 311849.40363466, 997466.0447898 ,
4094168.80343176, 12795036.16465259]))
('NEW_L_MULTIPLIERS', array([ 970.68568416, -3970.98677617, -12157.72271382, -14940.76849562,
-30542.48305984, -58316.235163 , -70693.65208373]))
('L_CONSTRAINTS', array([ -2.08166817e-17, 0.00000000e+00, -2.74845251e-17,
-6.39137181e-17, 1.13142828e-12, 5.77315973e-14,
-1.18921192e-12]))
('penalty', 10000)
('old_driving_force', -38720.645338940216, 1.1892119233802845e-12)
('sublsum', -5.5410638556527102e-11)
(1.0, -38720.645338964037, 2.439454888092385e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.93001004 0.01213784 0.05785212], NP=0.16636759090866196), CompositionSet(LAVES_C15, [ 6.66092710e-01 3.33457113e-01 4.50176650e-04], NP=0.8336324090913381)])
('step', array([ 7.95114054e-09, 4.62725597e-10, -8.41386612e-09,
0.00000000e+00, -2.51653921e-09, -1.31108200e-11,
2.52965005e-09, 6.60327196e-12, 6.79468963e-11,
-7.45501043e-11, 2.75846475e-10, -2.75846459e-10]))
('conv_angle', 77.399861876547874)
('Site fractions', array([ 9.30010035e-01, 1.21378428e-02, 5.78521219e-02,
1.00000000e+00, 9.99090368e-01, 4.22226236e-04,
4.87405883e-04, 9.73956533e-05, 9.99526886e-01,
3.75718184e-04]))
('Phase fractions', array([ 0.16636759, 0.83363241]))
('Chemical potentials', array([-30542.48305984, -58316.235163 , -70693.65208373]))
('Chem pot progress', array([ 0.00010555, -0.00016657, -0.00171391]))
('Energy progress', -4.6180502977222204e-08)
('Driving force', 1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.93001011 0.01213785 0.05785204], NP=1.0), -7.639755494892597e-10), (CompositionSet(BCC_A2, [ 0.93001004 0.01213784 0.05785212], NP=1.0), 1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 8.88888889e-01 1.00000000e-12 1.11111111e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e+00 1.00000000e-12 1.00000000e-12], NP=0.13000000000038997), CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=0.8699999999996104)])
('reduced_hessian eigenvalues', array([ 1.56864590e+14, 2.71046581e+14, 6.23090988e+14,
9.66342714e+14, 1.54912755e+15]))
('NEW_L_MULTIPLIERS', array([ 9.43595211e+02, -2.93481482e+03, -1.31078926e+04,
-1.51986936e+04, -2.98339236e+04, -5.97167473e+04,
4.80565997e+06]))
('L_CONSTRAINTS', array([ -1.77801169e-16, 0.00000000e+00, -1.77801169e-16,
-1.99922887e-16, 9.99000105e-10, 1.11022302e-16,
-9.99000000e-10]))
('penalty', 10000)
('old_driving_force', -38499.93742679969, 9.9900010486209112e-10)
('sublsum', -0.0050253650105420893)
(1.0, -38499.942428735085, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.99999999e-01 3.48823205e-11 1.00707943e-09], NP=0.12999999917104993), CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 9.98942154e-10], NP=0.8700000008289501)])
('step', array([ -1.03996157e-09, 3.38823205e-11, 1.00607943e-09,
0.00000000e+00, -1.02615840e-09, 2.82286628e-11,
9.97929911e-10, 2.69438649e-11, -1.02491030e-09,
9.97966640e-10, -8.29340054e-10, 8.29339654e-10]))
('conv_angle', 56.649773488783012)
('Site fractions', array([ 9.99999999e-01, 3.48823205e-11, 1.00707943e-09,
1.00000000e+00, 9.99999999e-01, 2.92286628e-11,
9.98929911e-10, 2.79438649e-11, 9.99999999e-01,
9.98966640e-10]))
('Phase fractions', array([ 0.13, 0.87]))
('Chemical potentials', array([ -29833.92355468, -59716.7472737 , 4805659.96864149]))
('Chem pot progress', array([ -1.94275766e-04, -6.15943354e-05, 4.87932569e+06]))
('Energy progress', -0.00010750903311418369)
('Driving force', -0.0048310365673387423)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.99999999e-01 3.48823205e-11 1.00707943e-09], NP=0.12999999917104993), CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 9.98942154e-10], NP=0.8700000008289501)])
('reduced_hessian eigenvalues', array([ 4.86834757e+11, 7.98043160e+11, 1.50750918e+13,
3.06505471e+13, 4.82756841e+13]))
('NEW_L_MULTIPLIERS', array([ 943.59840027, -2934.81487121, -13107.87832 ,
-15198.71110858, -29833.94821395, -59716.6866951 ,
-170455.44840424]))
('L_CONSTRAINTS', array([ 1.29247817e-17, 0.00000000e+00, 1.55148361e-17,
6.36191096e-17, 1.11022302e-16, 5.55111512e-17,
-6.74917341e-21]))
('penalty', 10000)
('old_driving_force', -38499.942428735085, 1.1102230246251565e-16)
('sublsum', -8.5367872457130247e-05)
(1.0, -38499.942499134057, 5.5511151231257827e-17)
('alpha', 1.0)
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('old_driving_force', -38515.274764221438, 1.3917995357548563e-05)
('sublsum', -3.0460382467356504)
(1.0, -38517.02943174883, 1.3239238442264156e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.84935318e-01 1.50646752e-02 7.13362802e-09], NP=0.1365997535177939), CompositionSet(LAVES_C15, [ 6.66486766e-01 3.33513234e-01 2.92182829e-11], NP=0.863400246482206)])
('step', array([ -5.56076449e-03, 5.56076462e-03, -1.33375268e-10,
0.00000000e+00, -2.44429946e-05, 2.44429935e-05,
1.14130143e-12, 2.92298871e-06, -2.92298979e-06,
1.08179550e-12, 2.38740836e-03, -2.38740836e-03]))
('conv_angle', 61.077720357137729)
('Site fractions', array([ 9.84935318e-01, 1.50646752e-02, 7.13362802e-09,
1.00000000e+00, 9.99668885e-01, 3.31115034e-04,
2.94650887e-11, 1.22528482e-04, 9.99877471e-01,
2.87246712e-11]))
('Phase fractions', array([ 0.13659975, 0.86340025]))
('Chemical potentials', array([ -29965.06199936, -59460.19226495, -190750.74018108]))
('Chem pot progress', array([ -1.74039632, 3.71559789, 284.16599355]))
('Energy progress', -1.7210723705138662)
('Driving force', 1.3557206464320188)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.84935318e-01 1.50646752e-02 7.13362802e-09], NP=0.1365997535177939), CompositionSet(LAVES_C15, [ 6.66486766e-01 3.33513234e-01 2.92182829e-11], NP=0.863400246482206)])
('reduced_hessian eigenvalues', array([ 2.71135024e+04, 1.49319759e+06, 8.09601898e+06,
3.49857860e+12, 5.79859162e+13]))
('NEW_L_MULTIPLIERS', array([ 1011.11571956, -3100.88994112, -12921.4612883 ,
-15131.68166296, -29956.17050719, -59477.94708768,
-190658.77469082]))
('L_CONSTRAINTS', array([ -5.18292074e-17, 0.00000000e+00, -3.06002167e-17,
9.29625473e-17, -1.32392381e-05, 1.32392384e-05,
-3.21098596e-13]))
('penalty', 10000)
('old_driving_force', -38517.029078971886, 1.3239238442264156e-05)
('sublsum', -0.18477095283213057)
(1.0, -38517.363038428914, 1.3011502206228265e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.83240793e-01 1.67592000e-02 7.09356756e-09], NP=0.13736749036949367), CompositionSet(LAVES_C15, [ 6.66487028e-01 3.33512972e-01 2.96109509e-11], NP=0.8626325096305064)])
('step', array([ -1.69452469e-03, 1.69452473e-03, -4.00604545e-11,
0.00000000e+00, 1.45450097e-07, -1.45450458e-07,
3.61004832e-13, 4.95077085e-07, -4.95077541e-07,
4.55994434e-13, 7.67736852e-04, -7.67736852e-04]))
('conv_angle', 60.908533280523415)
('Site fractions', array([ 9.83240793e-01, 1.67592000e-02, 7.09356756e-09,
1.00000000e+00, 9.99669030e-01, 3.30969583e-04,
2.98260935e-11, 1.23023559e-04, 9.99876976e-01,
2.91806657e-11]))
('Phase fractions', array([ 0.13736749, 0.86263251]))
('Chemical potentials', array([ -29956.17050719, -59477.94708768, -190658.77469082]))
('Chem pot progress', array([ 8.89149217, -17.75482273, 91.96549026]))
('Energy progress', 0.2572358340694336)
('Driving force', 0.096814801276195794)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.83240793e-01 1.67592000e-02 7.09356756e-09], NP=0.13736749036949367), CompositionSet(LAVES_C15, [ 6.66487028e-01 3.33512972e-01 2.96109509e-11], NP=0.8626325096305064)])
('reduced_hessian eigenvalues', array([ 2.46605395e+04, 1.48479761e+06, 8.06103917e+06,
3.49288655e+12, 5.71021688e+13]))
('NEW_L_MULTIPLIERS', array([ 1011.28353843, -3101.81047896, -12921.27856508,
-15130.5573115 , -29955.43176246, -59479.42339444,
-190654.06892667]))
('L_CONSTRAINTS', array([ -8.05023256e-18, 0.00000000e+00, -9.09264323e-18,
-1.03244454e-16, -1.30115019e-06, 1.30115022e-06,
-3.10573270e-14]))
('penalty', 10000)
('old_driving_force', -38517.363035546798, 1.3011502206228265e-06)
('sublsum', -0.00041243096272010013)
(1.0, -38517.389197582503, 3.3730691018085679e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.83157014e-01 1.68429787e-02 7.09158701e-09], NP=0.13740771379192848), CompositionSet(LAVES_C15, [ 6.66487108e-01 3.33512892e-01 2.96329589e-11], NP=0.8625922862080715)])
('step', array([ -8.37786918e-05, 8.37786937e-05, -1.98055580e-12,
0.00000000e+00, 1.00134865e-07, -1.00134884e-07,
1.86782309e-14, 3.86442897e-08, -3.86443183e-08,
2.86674428e-14, 4.02234224e-05, -4.02234224e-05]))
('conv_angle', 63.606463983764989)
('Site fractions', array([ 9.83157014e-01, 1.68429787e-02, 7.09158701e-09,
1.00000000e+00, 9.99669131e-01, 3.30869449e-04,
2.98447718e-11, 1.23062203e-04, 9.99876938e-01,
2.92093331e-11]))
('Phase fractions', array([ 0.13740771, 0.86259229]))
('Chemical potentials', array([ -29955.43176246, -59479.42339444, -190654.06892667]))
('Chem pot progress', array([ 0.73874473, -1.47630676, 4.70576416]))
('Energy progress', 0.03810906411672477)
('Driving force', 0.00023139140830608085)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.83157014e-01 1.68429787e-02 7.09158701e-09], NP=0.13740771379192848), CompositionSet(LAVES_C15, [ 6.66487108e-01 3.33512892e-01 2.96329589e-11], NP=0.8625922862080715)])
('reduced_hessian eigenvalues', array([ 2.45534285e+04, 1.48473004e+06, 8.05881024e+06,
3.49242297e+12, 5.70506220e+13]))
('NEW_L_MULTIPLIERS', array([ 1011.2837808 , -3101.81254771, -12921.27828911,
-15130.55482143, -29955.42998821, -59479.42694041,
-190654.05842873]))
('L_CONSTRAINTS', array([ 1.15739566e-17, 0.00000000e+00, -3.83907156e-17,
3.14665833e-17, -3.37306905e-09, 3.37306910e-09,
-8.05573292e-17]))
('penalty', 10000)
('old_driving_force', -38517.389197582481, 3.3730691018085679e-09)
('sublsum', -1.7470381627446685e-09)
(1.0, -38517.389265044403, 1.4765966227514582e-14)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.83156841e-01 1.68431514e-02 7.09158284e-09], NP=0.13740779891327046), CompositionSet(LAVES_C15, [ 6.66487108e-01 3.33512892e-01 2.96330188e-11], NP=0.8625922010867295)])
('step', array([ -1.72776917e-07, 1.72776921e-07, -4.16430953e-15,
0.00000000e+00, 2.27562840e-10, -2.27562850e-10,
4.88356714e-17, 9.64074844e-11, -9.64075978e-11,
8.19357519e-17, 8.51213420e-08, -8.51213420e-08]))
('conv_angle', 66.451555863324558)
('Site fractions', array([ 9.83156841e-01, 1.68431514e-02, 7.09158284e-09,
1.00000000e+00, 9.99669131e-01, 3.30869221e-04,
2.98448206e-11, 1.23062300e-04, 9.99876938e-01,
2.92094150e-11]))
('Phase fractions', array([ 0.1374078, 0.8625922]))
('Chemical potentials', array([ -29955.42998821, -59479.42694041, -190654.05842873]))
('Chem pot progress', array([ 0.00177426, -0.00354597, 0.01049794]))
('Energy progress', 9.958519513020292e-05)
('Driving force', 1.0331859812140465e-09)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.83156841e-01 1.68431514e-02 7.09158284e-09], NP=0.13740779891327046), CompositionSet(LAVES_C15, [ 6.66487108e-01 3.33512892e-01 2.96330188e-11], NP=0.8625922010867295)])
('reduced_hessian eigenvalues', array([ 2.45529436e+04, 1.48472931e+06, 8.05880262e+06,
3.49242044e+12, 5.70504796e+13]))
('NEW_L_MULTIPLIERS', array([ 1011.28378065, -3101.81254802, -12921.27828912,
-15130.55482143, -29955.4299882 , -59479.42694042,
-190654.05842495]))
('L_CONSTRAINTS', array([ -3.27702158e-18, 0.00000000e+00, 1.79259508e-17,
2.38003275e-18, -1.47659662e-14, 1.47659662e-14,
-3.70783710e-22]))
('penalty', 10000)
('old_driving_force', -38517.389265044403, 1.4765966227514582e-14)
('sublsum', -5.7123313528161613e-20)
(1.0, -38517.389265044731, 1.1344973075196228e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.83156841e-01 1.68431514e-02 7.09158284e-09], NP=0.13740779891288604), CompositionSet(LAVES_C15, [ 6.66487108e-01 3.33512892e-01 2.96330188e-11], NP=0.862592201087114)])
('step', array([ 9.88186809e-13, -9.88183314e-13, -2.18207301e-19,
0.00000000e+00, 1.04150318e-15, -1.05946294e-15,
3.38072791e-20, 3.83267539e-16, -3.85694967e-16,
4.73955340e-20, -3.84421849e-13, 3.84432392e-13]))
('conv_angle', 89.624333867119603)
('Site fractions', array([ 9.83156841e-01, 1.68431514e-02, 7.09158284e-09,
1.00000000e+00, 9.99669131e-01, 3.30869221e-04,
2.98448206e-11, 1.23062300e-04, 9.99876938e-01,
2.92094151e-11]))
('Phase fractions', array([ 0.1374078, 0.8625922]))
('Chemical potentials', array([ -29955.4299882 , -59479.42694042, -190654.05842495]))
('Chem pot progress', array([ 7.67977326e-09, -1.51849235e-08, 3.77561082e-06]))
('Energy progress', 4.001776687800884e-10)
('Driving force', -4.3655745685100555e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 8.88888889e-01 1.00000000e-12 1.11111111e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e+00 1.00000000e-12 1.00000000e-12], NP=0.13000000000038991), CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=0.8699999999996103)])
('reduced_hessian eigenvalues', array([ 1.56864590e+14, 2.71046581e+14, 6.23090988e+14,
9.66342714e+14, 1.54912755e+15]))
('NEW_L_MULTIPLIERS', array([ 1.07101689e+03, -2.77012570e+03, -1.20421723e+04,
-1.50813159e+04, -3.17093436e+04, -6.03639438e+04,
5.03124934e+13]))
('L_CONSTRAINTS', array([ -1.77801169e-16, 0.00000000e+00, -1.77801169e-16,
-1.99922887e-16, 1.00000000e-02, 5.55111512e-17,
-1.00000000e-02]))
('penalty', 10000)
('old_driving_force', 503124895619.11304, 0.009999999999000031)
('sublsum', -503124935826.29749)
(1.0, -38802.476072649522, 2.9000000093315492e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.27046273e-11 1.00000000e-02], NP=0.12130000004079886), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8786999999592011)])
('step', array([ -1.00000000e-02, 3.17046273e-11, 1.00000000e-02,
0.00000000e+00, -1.00000000e-02, 2.88396865e-11,
1.00000000e-02, 2.72112411e-11, -1.00000000e-02,
1.00000000e-02, -8.69999996e-03, 8.69999996e-03]))
('conv_angle', 56.52258058333895)
('Site fractions', array([ 9.90000000e-01, 3.27046273e-11, 1.00000000e-02,
1.00000000e+00, 9.90000000e-01, 2.98396865e-11,
1.00000000e-02, 2.82112411e-11, 9.90000000e-01,
1.00000000e-02]))
('Phase fractions', array([ 0.1213, 0.8787]))
('Chemical potentials', array([ -3.17093436e+04, -6.03639438e+04, 5.03124934e+13]))
('Chem pot progress', array([ -1.87542028e+03, -6.47196552e+02, 5.03124934e+13]))
('Energy progress', 133.73625579409418)
('Driving force', -503124932753.24622)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.27046273e-11 1.00000000e-02], NP=0.12130000004079886), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8786999999592011)])
('reduced_hessian eigenvalues', array([ -2.34514658e+13, 6.54921917e+12, 2.23042012e+13,
3.88468079e+13, 4.75695584e+13]))
('reduced_hessian modified eigenvalues', array([ 6.54921917e+12, 2.23042012e+13, 2.34514658e+13,
3.88468079e+13, 4.75695584e+13]))
('NEW_L_MULTIPLIERS', array([ 8.12131406e+08, 1.34442436e+08, -8.51939260e+08,
1.02727354e+07, 1.87878859e+09, -2.04910268e+09,
-7.74798135e+08]))
('L_CONSTRAINTS', array([ 3.29597460e-17, 0.00000000e+00, 3.12250226e-17,
-3.81639165e-17, 2.90000001e-05, -2.90000000e-05,
-4.56926164e-14]))
('penalty', 10000)
('old_driving_force', -152712.79102585267, 2.9000000093315492e-05)
('sublsum', 113908.74425914623)
(1.0, -13426.120047098637, 1.2362339702087777e-05)
(0.5, -83071.623482413415, 1.4499313412130732e-05)
(0.25, -117892.75521981418, 2.1749828411299355e-05)
(0.125, -135302.93325717663, 2.5374957166923728e-05)
(0.0625, -144007.92484352211, 2.718748935881532e-05)
(0.03125, -148360.39604146639, 2.80937474081977e-05)
(0, -152712.79102585267, 2.9000000093315492e-05)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.27046273e-11 1.00000000e-02], NP=0.12130000004079886), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8786999999592011)])
('step', array([ 4.43475921e-05, 1.11869267e-05, -5.55345188e-05,
0.00000000e+00, -3.89007152e-05, -1.23623685e-05,
5.12630838e-05, 5.67192642e-06, 7.38554798e-05,
-7.95274062e-05, -4.01594888e-05, 4.01594888e-05]))
('conv_angle', 101.89030709775373)
('Site fractions', array([ 9.90000000e-01, 3.27046273e-11, 1.00000000e-02,
1.00000000e+00, 9.90000000e-01, 2.98396865e-11,
1.00000000e-02, 2.82112411e-11, 9.90000000e-01,
1.00000000e-02]))
('Phase fractions', array([ 0.1213, 0.8787]))
('Chemical potentials', array([ 1.87878859e+09, -2.04910268e+09, -7.74798135e+08]))
('Chem pot progress', array([ 1.87882030e+09, -2.04904231e+09, -5.03132682e+13]))
('Energy progress', 0.0)
('Driving force', -713316968.13029909)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.27046273e-11 1.00000000e-02], NP=0.12130000004079886), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8786999999592011)])
('reduced_hessian eigenvalues', array([ -1.16868668e+09, 7.26807231e+08, 1.49380646e+13,
2.89606977e+13, 4.79191399e+13]))
('reduced_hessian modified eigenvalues', array([ 7.26807231e+08, 1.16868668e+09, 1.49380646e+13,
2.89606977e+13, 4.79191399e+13]))
('NEW_L_MULTIPLIERS', array([ -513.08677393, 87671.00291534, -145243.57356182,
2018.18606539, 173404.22049507, -223792.48589827,
142748.20700378]))
('L_CONSTRAINTS', array([ 3.29597460e-17, 0.00000000e+00, 3.12250226e-17,
-3.81639165e-17, 2.90000001e-05, -2.90000000e-05,
-4.56926164e-14]))
('penalty', 1000.0)
('old_driving_force', -38815.984703210641, 2.9000000093315492e-05)
('sublsum', 10.206101377256271)
(1.0, -38805.835219939305, 5.0121553539506092e-09)
(0.5, -38810.910245557032, 1.4501072018946459e-05)
(0.25, -38813.44754720154, 2.1750268063058797e-05)
(0.125, -38814.71614531766, 2.5375067079891345e-05)
(0.0625, -38815.350431066385, 2.7187516837057224e-05)
(0.03125, -38815.667570557081, 2.8093754277702665e-05)
(0, -38815.984703210641, 2.9000000093315492e-05)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.27046273e-11 1.00000000e-02], NP=0.12130000004079886), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8786999999592011)])
('step', array([ -9.73523927e-05, 3.30330480e-09, 9.73490894e-05,
0.00000000e+00, -3.86159943e-06, -1.55044598e-09,
3.86314987e-06, 1.83186526e-09, 4.80400858e-05,
-4.80419177e-05, -4.52411105e-05, 4.52411105e-05]))
('conv_angle', 100.80629096607679)
('Site fractions', array([ 9.90000000e-01, 3.27046273e-11, 1.00000000e-02,
1.00000000e+00, 9.90000000e-01, 2.98396865e-11,
1.00000000e-02, 2.82112411e-11, 9.90000000e-01,
1.00000000e-02]))
('Phase fractions', array([ 0.1213, 0.8787]))
('Chemical potentials', array([ 173404.22049507, -223792.48589827, 142748.20700378]))
('Chem pot progress', array([ -1.87861518e+09, 2.04887888e+09, 7.74940883e+08]))
('Energy progress', 0.0)
('Driving force', -96726.658209295798)
('Composition Sets', [CompositionSet(BCC_A2, [ 9.90000000e-01 3.27046273e-11 1.00000000e-02], NP=0.12130000004079886), CompositionSet(LAVES_C15, [ 0.66 0.33 0.01], NP=0.8786999999592011)])
('reduced_hessian eigenvalues', array([ 1.50680906e+04, 6.61741613e+04, 1.49371708e+13,
2.89619744e+13, 4.79191756e+13]))
('NEW_L_MULTIPLIERS', array([ -6651.34538111, -11557.52305686, -6627.53445025, -22425.92447941,
-32179.66097722, -39778.25970895, -44624.41549147]))
('L_CONSTRAINTS', array([ 3.29597460e-17, 0.00000000e+00, 3.12250226e-17,
-3.81639165e-17, 2.90000001e-05, -2.90000000e-05,
-4.56926164e-14]))
('penalty', 100.0)
('old_driving_force', -38804.738558069243, 2.9000000093315492e-05)
('sublsum', -328.3287470407268)
(1.0, -38923.404182787155, 0.012044300145908871)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 9.24232728e-01 4.46881325e-10 7.57672718e-02], NP=0.15923951194535652), CompositionSet(LAVES_C15, [ 0.65479746 0.33333333 0.0118692 ], NP=0.8407604880546434)])
('step', array([ -6.57672722e-02, 4.14176698e-10, 6.57672718e-02,
0.00000000e+00, -7.80380485e-03, 6.14621738e-10,
7.80380423e-03, 2.65902856e-10, 4.28441056e-02,
-4.28441058e-02, 3.79395119e-02, -3.79395119e-02]))
('conv_angle', 88.370637875103526)
('Site fractions', array([ 9.24232728e-01, 4.46881325e-10, 7.57672718e-02,
1.00000000e+00, 9.82196195e-01, 6.44461424e-10,
1.78038042e-02, 2.94114097e-10, 1.00000000e+00,
1.00000000e-12]))
('Phase fractions', array([ 0.15923951, 0.84076049]))
('Chemical potentials', array([-32179.66097722, -39778.25970895, -44624.41549147]))
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('Energy progress', -2.756284731141932)
('Driving force', 1.6363615231311996)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.91717171 0.00979843 0.07302986], NP=0.1343722244248843), CompositionSet(LAVES_C15, [ 6.66284515e-01 3.33502985e-01 2.12499676e-04], NP=0.8656277755751156)])
('reduced_hessian eigenvalues', array([ 46180.68193413, 414785.47388809, 952568.12854494,
5860526.70221513, 15537705.57542546]))
('NEW_L_MULTIPLIERS', array([ 750.83702818, -3256.43961391, -12514.12030898, -15604.28605029,
-30717.62540725, -57971.30752776, -68258.69890023]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 0.00000000e+00, -2.53703308e-17,
-2.76471554e-17, -3.21427789e-06, 6.08348684e-06,
-2.86920895e-06]))
('penalty', 10000)
('old_driving_force', -38994.621379357442, 6.0834868441106416e-06)
('sublsum', -1.8569308539547353)
(1.0, -38995.878675678177, 9.8790634108988917e-07)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.9171809 0.01139433 0.07142478], NP=0.13491751968802754), CompositionSet(LAVES_C15, [ 6.66128758e-01 3.33452139e-01 4.19102827e-04], NP=0.8650824803119724)])
('step', array([ 9.18522646e-06, 1.59590229e-03, -1.60508752e-03,
0.00000000e+00, -2.34218336e-04, -2.31160604e-06,
2.36529942e-04, 1.16575612e-06, -1.47915325e-04,
1.46749569e-04, 5.45295263e-04, -5.45295263e-04]))
('conv_angle', 82.915400670790476)
('Site fractions', array([ 9.17180897e-01, 1.13943277e-02, 7.14247757e-02,
1.00000000e+00, 9.99147838e-01, 4.53745183e-04,
3.98417019e-04, 9.05986922e-05, 9.99448927e-01,
4.60474444e-04]))
('Phase fractions', array([ 0.13491752, 0.86508248]))
('Chemical potentials', array([-30717.62540725, -57971.30752776, -68258.69890023]))
('Chem pot progress', array([ 20.41704217, -44.22401315, -169.16629299]))
('Energy progress', -1.0846862428152235)
('Driving force', 0.70552332385705085)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.9171809 0.01139433 0.07142478], NP=0.13491751968802754), CompositionSet(LAVES_C15, [ 6.66128758e-01 3.33452139e-01 4.19102827e-04], NP=0.8650824803119724)])
('reduced_hessian eigenvalues', array([ 39446.04934008, 224801.67855092, 821896.93690129,
3985059.05953394, 13966120.87677916]))
('NEW_L_MULTIPLIERS', array([ 753.62124591, -3254.78056594, -12521.36975762, -15594.0558673 ,
-30704.07228132, -57997.84737627, -68418.27253666]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, -1.62630326e-19,
7.99057001e-17, 8.99421995e-08, 8.97964142e-07,
-9.87906341e-07]))
('penalty', 10000)
('old_driving_force', -38995.878810709146, 9.8790634108988917e-07)
('sublsum', -0.51035573292568859)
(1.0, -38996.187168281067, 4.8204553251829374e-08)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.91800638 0.01156525 0.07042837], NP=0.13495945480722257), CompositionSet(LAVES_C15, [ 6.65987743e-01 3.33440056e-01 5.72201221e-04], NP=0.8650405451927774)])
('step', array([ 8.25482152e-04, 1.70922643e-04, -9.96404795e-04,
0.00000000e+00, -2.11893717e-04, -2.30197030e-06,
2.14195687e-04, 7.41594318e-07, -3.16454022e-05,
3.09038079e-05, 4.19351192e-05, -4.19351192e-05]))
('conv_angle', 80.28996682149365)
('Site fractions', array([ 9.18006379e-01, 1.15652503e-02, 7.04283709e-02,
1.00000000e+00, 9.98935944e-01, 4.51443213e-04,
6.12612706e-04, 9.13402866e-05, 9.99417281e-01,
4.91378252e-04]))
('Phase fractions', array([ 0.13495945, 0.86504055]))
('Chemical potentials', array([-30704.07228132, -57997.84737627, -68418.27253666]))
('Chem pot progress', array([ 13.55312593, -26.53984851, -159.57363643]))
('Energy progress', -0.30070426871679956)
('Driving force', 0.22092903959128307)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.91800638 0.01156525 0.07042837], NP=0.13495945480722257), CompositionSet(LAVES_C15, [ 6.65987743e-01 3.33440056e-01 5.72201221e-04], NP=0.8650405451927774)])
('reduced_hessian eigenvalues', array([ 38569.84115762, 166775.33046169, 795933.29485924,
3557218.81267806, 13645625.30319219]))
('NEW_L_MULTIPLIERS', array([ 754.33716606, -3254.23291679, -12523.4229407 , -15591.65362777,
-30700.61906753, -58003.96158881, -68463.3634293 ]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 0.00000000e+00, -2.82976767e-17,
-1.19045399e-16, 4.05301851e-08, 7.67436820e-09,
-4.82045533e-08]))
('penalty', 10000)
('old_driving_force', -38996.187170547688, 4.8204553251829374e-08)
('sublsum', -0.0277073989000837)
(1.0, -38996.202368559585, 1.756719845980026e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.91825618 0.0115787 0.07016512], NP=0.13496523510643613), CompositionSet(LAVES_C15, [ 6.65947039e-01 3.33440099e-01 6.12861844e-04], NP=0.8650347648935638)])
('step', array([ 2.49801786e-04, 1.34526277e-05, -2.63254414e-04,
0.00000000e+00, -6.11485230e-05, -5.52797520e-07,
6.17013205e-05, 1.85823544e-07, 1.23494973e-06,
-1.42077328e-06, 5.78029921e-06, -5.78029921e-06]))
('conv_angle', 79.8678524831369)
('Site fractions', array([ 9.18256181e-01, 1.15787029e-02, 7.01651165e-02,
1.00000000e+00, 9.98874796e-01, 4.50890415e-04,
6.74314026e-04, 9.15261101e-05, 9.99418516e-01,
4.89957478e-04]))
('Phase fractions', array([ 0.13496524, 0.86503476]))
('Chemical potentials', array([-30700.61906753, -58003.96158881, -68463.3634293 ]))
('Chem pot progress', array([ 3.4532138 , -6.11421254, -45.09089264]))
('Energy progress', -0.015815633298188914)
('Driving force', 0.013438622670946643)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.91825618 0.0115787 0.07016512], NP=0.13496523510643613), CompositionSet(LAVES_C15, [ 6.65947039e-01 3.33440099e-01 6.12861844e-04], NP=0.8650347648935638)])
('reduced_hessian eigenvalues', array([ 38441.6411651 , 156085.8004852 , 796058.62485146,
3501955.5146958 , 13595854.58573463]))
('NEW_L_MULTIPLIERS', array([ 754.37196112, -3254.20708476, -12523.52101529, -15591.54289821,
-30700.45475575, -58004.23632456, -68465.55999256]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 0.00000000e+00, -4.71627945e-17,
7.71951947e-17, 1.67920888e-09, 7.75109976e-11,
-1.75671985e-09]))
('penalty', 10000)
('old_driving_force', -38996.202368563696, 1.756719845980026e-09)
('sublsum', -5.9377679174356306e-05)
(1.0, -38996.202433334634, 4.6608949338944328e-12)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.91826821 0.01157933 0.07015246], NP=0.13496555409442496), CompositionSet(LAVES_C15, [ 6.65945067e-01 3.33440119e-01 6.14813460e-04], NP=0.8650344459055749)])
('step', array([ 1.20297717e-05, 6.30120122e-07, -1.26598918e-05,
0.00000000e+00, -2.96220629e-06, -2.52878549e-08,
2.98749414e-06, 8.70666382e-09, 1.11433720e-07,
-1.20140384e-07, 3.18987989e-07, -3.18987989e-07]))
('conv_angle', 79.748497749326432)
('Site fractions', array([ 9.18268210e-01, 1.15793331e-02, 7.01524566e-02,
1.00000000e+00, 9.98871833e-01, 4.50865127e-04,
6.77301521e-04, 9.15348168e-05, 9.99418628e-01,
4.89837338e-04]))
('Phase fractions', array([ 0.13496555, 0.86503445]))
('Chemical potentials', array([-30700.45475575, -58004.23632456, -68465.55999256]))
('Chem pot progress', array([ 0.16431178, -0.27473575, -2.19656326]))
('Energy progress', -9.378540562465787e-05)
('Driving force', 2.9644703317899257e-05)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.91826821 0.01157933 0.07015246], NP=0.13496555409442496), CompositionSet(LAVES_C15, [ 6.65945067e-01 3.33440119e-01 6.14813460e-04], NP=0.8650344459055749)])
('reduced_hessian eigenvalues', array([ 38435.66051122, 155608.36172707, 796104.72826021,
3499684.62586403, 13593690.3745268 ]))
('NEW_L_MULTIPLIERS', array([ 754.37203171, -3254.20704147, -12523.52119469, -15591.54267494,
-30700.4544255 , -58004.23686605, -68465.56444238]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 0.00000000e+00, 1.12757026e-17,
3.64291930e-17, 4.46620518e-12, 1.94511074e-13,
-4.66089493e-12]))
('penalty', 10000)
('old_driving_force', -38996.202433334634, 4.6608949338944328e-12)
('sublsum', -2.5388577445960827e-10)
(1.0, -38996.202433428007, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.91826824 0.01157933 0.07015243], NP=0.13496555488993925), CompositionSet(LAVES_C15, [ 6.65945063e-01 3.33440119e-01 6.14817509e-04], NP=0.8650344451100608)])
('step', array([ 2.46849332e-08, 1.64128394e-09, -2.63262172e-08,
0.00000000e+00, -6.14201026e-09, -4.81092078e-11,
6.19011946e-09, 1.81204347e-11, 2.15289339e-10,
-2.33409810e-10, 7.95514298e-10, -7.95514099e-10]))
('conv_angle', 79.724024357698767)
('Site fractions', array([ 9.18268235e-01, 1.15793347e-02, 7.01524303e-02,
1.00000000e+00, 9.98871827e-01, 4.50865079e-04,
6.77307711e-04, 9.15348349e-05, 9.99418628e-01,
4.89837105e-04]))
('Phase fractions', array([ 0.13496555, 0.86503445]))
('Chemical potentials', array([-30700.4544255 , -58004.23686605, -68465.56444238]))
('Chem pot progress', array([ 0.00033025, -0.00054149, -0.00444982]))
('Energy progress', -1.7086858861148357e-07)
('Driving force', 9.4587448984384537e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.91826824 0.01157933 0.07015243], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.91826824 0.01157933 0.07015243], NP=1.0), 3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.91826824 0.01157933 0.07015243], NP=1.0), 5.093170329928398e-11), (CompositionSet(BCC_A2, [ 0.91826824 0.01157933 0.07015243], NP=1.0), 6.548361852765083e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 4.44444444e-01 1.00000000e-12 5.55555556e-01], NP=0.6767905935486986), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.3232094064513015)])
('reduced_hessian eigenvalues', array([ 7.58204327e+03, 1.31533306e+14, 2.93121254e+14,
5.32572348e+14, 9.12576609e+14]))
('NEW_L_MULTIPLIERS', array([ 2741.62687197, -18772.15833581, -3185.7330864 , -8172.86471177,
-39527.44120397, -41777.27246521, -42709.61740138]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, 1.23273195e-02, -1.22635312e-02,
-6.37882916e-05]))
('penalty', 10000)
('old_driving_force', -40791.378977127431, 0.012327319473789899)
('sublsum', -58.169209082618877)
(1.0, -41006.662352421321, 0.0026032524582959571)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 4.03796808e-01 3.38533416e-11 5.96203192e-01], NP=0.6400000000735646), CompositionSet(LAVES_C15, [ 0.6227036 0.33333333 0.04396307], NP=0.35999999992643544)])
('step', array([ -4.06476367e-02, 3.28533416e-11, 4.06476366e-02,
0.00000000e+00, 4.51665090e-02, 3.76720339e-11,
-4.51665091e-02, 2.52090480e-11, -6.00596322e-11,
3.48507882e-11, -3.67905935e-02, 3.67905935e-02]))
('conv_angle', 89.734885113269272)
('Site fractions', array([ 4.03796808e-01, 3.38533416e-11, 5.96203192e-01,
1.00000000e+00, 9.34055398e-01, 3.86720339e-11,
6.59446021e-02, 2.62090480e-11, 1.00000000e+00,
3.58507882e-11]))
('Phase fractions', array([ 0.64, 0.36]))
('Chemical potentials', array([-39527.44120397, -41777.27246521, -42709.61740138]))
('Chem pot progress', array([ -955.57293835, 1139.33770072, 788.47667634]))
('Energy progress', 13.284224915296363)
('Driving force', 11.564032696318463)
('Composition Sets', [CompositionSet(BCC_A2, [ 4.03796808e-01 3.38533416e-11 5.96203192e-01], NP=0.6400000000735646), CompositionSet(LAVES_C15, [ 0.6227036 0.33333333 0.04396307], NP=0.35999999992643544)])
('reduced_hessian eigenvalues', array([ 1.31466494e+04, 5.72919704e+12, 1.28552353e+13,
2.84980845e+13, 3.99613695e+13]))
('NEW_L_MULTIPLIERS', array([ 2739.58810446, -18757.0447533 , -3154.71951743, -8211.36549414,
-39598.19231877, -41359.13350318, -42730.67412861]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 0.00000000e+00,
2.14440918e-17, 2.60325246e-03, -1.02126640e-12,
-2.60325246e-03]))
('penalty', 10000)
('old_driving_force', -41006.532985384263, 0.0026032524582959571)
('sublsum', -4.0293176898256036)
(1.0, -41060.726164951775, 1.3478884675066638e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 4.04344259e-01 7.31612967e-10 5.95655740e-01], NP=0.6400000016136581), CompositionSet(LAVES_C15, [ 0.6144991 0.33333333 0.05216757], NP=0.35999999838634195)])
('step', array([ 5.47451287e-04, 6.97759626e-10, -5.47451985e-04,
0.00000000e+00, -1.23067541e-02, 7.69210381e-10,
1.23067533e-02, 3.25112938e-10, -9.73257337e-10,
6.48144379e-10, 1.54009350e-09, -1.54009352e-09]))
('conv_angle', 89.872101481294195)
('Site fractions', array([ 4.04344259e-01, 7.31612967e-10, 5.95655740e-01,
1.00000000e+00, 9.21748644e-01, 8.07882415e-10,
7.82513554e-02, 3.51321986e-10, 9.99999999e-01,
6.83995167e-10]))
('Phase fractions', array([ 0.64, 0.36]))
('Chemical potentials', array([-39598.19231877, -41359.13350318, -42730.67412861]))
('Chem pot progress', array([ -70.7511148 , 418.13896204, -21.05672723]))
('Energy progress', -10.282771599588159)
('Driving force', 1.7718196138230269)
('Composition Sets', [CompositionSet(BCC_A2, [ 4.04344259e-01 7.31612967e-10 5.95655740e-01], NP=0.6400000016136581), CompositionSet(LAVES_C15, [ 0.6144991 0.33333333 0.05216757], NP=0.35999999838634195)])
('reduced_hessian eigenvalues', array([ 1.13332132e+04, 3.04462677e+11, 6.63225313e+11,
1.82044697e+12, 1.99228915e+12]))
('NEW_L_MULTIPLIERS', array([ 2740.21055255, -18755.56319241, -3158.06713453, -8207.67237633,
-39589.30866611, -41360.22304513, -42736.65200544]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 2.77555756e-17,
-2.65318543e-17, 1.34788847e-11, 0.00000000e+00,
-1.34788292e-11]))
('penalty', 10000)
('old_driving_force', -41060.726164951971, 1.3478884675066638e-11)
('sublsum', -0.02956225167284935)
(1.0, -41060.741607832533, 3.1926683519145627e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 4.04734179e-01 1.35667733e-08 5.95265807e-01], NP=0.6400000310906808), CompositionSet(LAVES_C15, [ 0.61380592 0.33333334 0.05286074], NP=0.3599999689093191)])
('step', array([ 3.89919941e-04, 1.28351603e-08, -3.89932776e-04,
0.00000000e+00, -1.03976249e-03, 1.36173935e-08,
1.03974887e-03, 3.45282311e-09, -1.38083565e-08,
1.03555334e-08, 2.94770228e-08, -2.94770228e-08]))
('conv_angle', 89.987749579582129)
('Site fractions', array([ 4.04734179e-01, 1.35667733e-08, 5.95265807e-01,
1.00000000e+00, 9.20708881e-01, 1.44252759e-08,
7.92911043e-02, 3.80414510e-09, 9.99999985e-01,
1.10395286e-08]))
('Phase fractions', array([ 0.64000003, 0.35999997]))
('Chemical potentials', array([-39589.30866611, -41360.22304513, -42736.65200544]))
('Chem pot progress', array([ 8.88365266, -1.08954196, -5.97787683]))
('Energy progress', -0.015443191448866855)
('Driving force', 0.014118855106062256)
('Composition Sets', [CompositionSet(BCC_A2, [ 4.04734179e-01 1.35667733e-08 5.95265807e-01], NP=0.6400000310906808), CompositionSet(LAVES_C15, [ 0.61380592 0.33333334 0.05286074], NP=0.3599999689093191)])
('reduced_hessian eigenvalues', array([ 1.12056179e+04, 1.80954810e+10, 4.06652511e+10,
1.03107461e+11, 1.67001413e+11]))
('NEW_L_MULTIPLIERS', array([ 2740.23223122, -18755.56621955, -3158.07584356, -8207.64585023,
-39589.28063 , -41360.187914 , -42736.71098467]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
3.88103085e-17, 3.19263505e-11, 2.49800181e-16,
-3.19266835e-11]))
('penalty', 10000)
('old_driving_force', -41060.741607832533, 3.1926683519145627e-11)
('sublsum', -0.020037497565778897)
(1.0, -41060.758944159454, 3.0503377601576176e-12)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 4.04736586e-01 2.11961180e-07 5.95263202e-01], NP=0.6400004978250731), CompositionSet(LAVES_C15, [ 0.61380191 0.33333342 0.05286467], NP=0.35999950217492693)])
('step', array([ 2.40748200e-06, 1.98394407e-07, -2.60587641e-06,
0.00000000e+00, -6.02766134e-06, 2.01569322e-07,
5.82609202e-06, 2.83257512e-08, -1.64757794e-07,
1.36432042e-07, 4.66734392e-07, -4.66734392e-07]))
('conv_angle', 88.283747602603739)
('Site fractions', array([ 4.04736586e-01, 2.11961180e-07, 5.95263202e-01,
1.00000000e+00, 9.20702854e-01, 2.15994598e-07,
7.92969303e-02, 3.21298963e-08, 9.99999820e-01,
1.47471571e-07]))
('Phase fractions', array([ 0.6400005, 0.3599995]))
('Chemical potentials', array([-39589.28063 , -41360.187914 , -42736.71098467]))
('Chem pot progress', array([ 0.02803611, 0.03513113, -0.05897923]))
('Energy progress', -0.017335840384475887)
('Driving force', 0.0027017263637389988)
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('old_driving_force', -41248.984595402726, 1.3419722574847803e-06)
('sublsum', -1.130728542069328e-06)
(1.0, -41249.011434527114, 4.431088829193186e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.42939941 0.03622403 0.53437656], NP=0.7254250942351689), CompositionSet(LAVES_C15, [ 0.61368642 0.34133556 0.04497802], NP=0.27457490576483107)])
('step', array([ 1.82204796e-06, 2.91501278e-06, -4.73706074e-06,
0.00000000e+00, 3.41005811e-07, 2.32552649e-07,
-5.73558460e-07, 3.99099111e-10, -3.45525576e-07,
3.45126477e-07, 9.91353286e-06, -9.91353286e-06]))
('conv_angle', 83.835554766300547)
('Site fractions', array([ 4.29399411e-01, 3.62240308e-02, 5.34376558e-01,
1.00000000e+00, 9.20525900e-01, 1.34379888e-02,
6.60361109e-02, 7.46978622e-06, 9.97130701e-01,
2.86182962e-03]))
('Phase fractions', array([ 0.72542509, 0.27457491]))
('Chemical potentials', array([-38933.22906792, -42662.82000131, -43603.80770863]))
('Chem pot progress', array([ 0.10124473, -0.18026097, -0.00273442]))
('Energy progress', -0.0029145207154215313)
('Driving force', 7.9871824709698558e-07)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.42939941 0.03622403 0.53437656], NP=0.7254250942351689), CompositionSet(LAVES_C15, [ 0.61368642 0.34133556 0.04497802], NP=0.27457490576483107)])
('reduced_hessian eigenvalues', array([ 7.98585202e+03, 9.52725755e+03, 6.79645557e+04,
1.15128486e+05, 5.84824106e+07]))
('NEW_L_MULTIPLIERS', array([ 4052.65752359, -20578.61682815, -2485.25782825, -6110.00728299,
-38933.22907247, -42662.81999364, -43603.80770347]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -2.77555756e-17,
-2.94902991e-17, 1.58079105e-11, 2.85029084e-11,
-4.43108883e-11]))
('penalty', 10000)
('old_driving_force', -41249.011434527114, 4.431088829193186e-11)
('sublsum', -3.4972294111002781e-14)
(1.0, -41249.011435413326, 4.90059381963448e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.42939941 0.03622403 0.53437656], NP=0.7254250955546705), CompositionSet(LAVES_C15, [ 0.61368642 0.34133556 0.04497802], NP=0.2745749044453295)])
('step', array([ 3.65314770e-10, 5.03830391e-10, -8.69145162e-10,
0.00000000e+00, -2.05679905e-10, 6.39097358e-11,
1.41770197e-10, 2.76389813e-15, -3.38449641e-11,
3.38422297e-11, 1.31950161e-09, -1.31950155e-09]))
('conv_angle', 80.673314041236935)
('Site fractions', array([ 4.29399411e-01, 3.62240313e-02, 5.34376557e-01,
1.00000000e+00, 9.20525900e-01, 1.34379889e-02,
6.60361110e-02, 7.46978622e-06, 9.97130701e-01,
2.86182965e-03]))
('Phase fractions', array([ 0.7254251, 0.2745749]))
('Chemical potentials', array([-38933.22907247, -42662.81999364, -43603.80770347]))
('Chem pot progress', array([ -4.54887049e-06, 7.66563608e-06, 5.15575084e-06]))
('Energy progress', -1.0064832167699933e-07)
('Driving force', 7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.42939941 0.03622403 0.53437656], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.42939941 0.03622403 0.53437656], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.42939941 0.03622403 0.53437656], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.42939941 0.03622403 0.53437656], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.42939941 0.03622403 0.53437656], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.42939941 0.03622403 0.53437656], NP=1.0), 7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.61368642 0.34133556 0.04497802], NP=1.0), -1.4551915228366852e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 4.44444444e-01 1.00000000e-12 5.55555556e-01], NP=0.697485302419667), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.30251469758033306)])
('reduced_hessian eigenvalues', array([ 7.11695515e+03, 1.28564564e+14, 2.81173420e+14,
4.99887300e+14, 8.53494762e+14]))
('NEW_L_MULTIPLIERS', array([ 2724.42811464, -18828.94771768, -3157.86628939, -8189.30107949,
-39750.95197968, -41410.26328676, -42523.80599811]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, 1.92614367e-02, -1.91617675e-02,
-9.96692056e-05]))
('penalty', 10000)
('old_driving_force', -40676.088921606621, 0.019261436678100041)
('sublsum', -77.29340675194959)
(1.0, -40992.724816161885, 0.0047004431059315954)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.91930724e-01 3.29603267e-11 6.08069276e-01], NP=0.6400000000737993), CompositionSet(LAVES_C15, [ 0.62184661 0.33333333 0.04482006], NP=0.35999999992620063)])
('step', array([ -5.25137201e-02, 3.19603267e-11, 5.25137201e-02,
0.00000000e+00, 4.38810259e-02, 4.03463157e-11,
-4.38810259e-02, 2.69152482e-11, -6.41517325e-11,
3.72366920e-11, -5.74853023e-02, 5.74853023e-02]))
('conv_angle', 89.725709408438433)
('Site fractions', array([ 3.91930724e-01, 3.29603267e-11, 6.08069276e-01,
1.00000000e+00, 9.32769915e-01, 4.13463157e-11,
6.72300852e-02, 2.79152482e-11, 1.00000000e+00,
3.82366920e-11]))
('Phase fractions', array([ 0.64, 0.36]))
('Chemical potentials', array([-39750.95197968, -41410.26328676, -42523.80599811]))
('Chem pot progress', array([-1179.08371407, 1506.34687917, 974.28807961]))
('Energy progress', 39.289840888348408)
('Driving force', 0.20580580418754835)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.91930724e-01 3.29603267e-11 6.08069276e-01], NP=0.6400000000737993), CompositionSet(LAVES_C15, [ 0.62184661 0.33333333 0.04482006], NP=0.35999999992620063)])
('reduced_hessian eigenvalues', array([ 1.29741377e+04, 5.45833610e+12, 1.23106230e+13,
2.67496707e+13, 3.89867014e+13]))
('NEW_L_MULTIPLIERS', array([ 2715.33533457, -18808.69571516, -3083.01657693, -8258.88611242,
-39918.47594797, -40812.15257881, -42519.03956323]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 6.93889390e-17,
5.59488259e-17, 4.70044311e-03, -1.52028390e-12,
-4.70044310e-03]))
('penalty', 10000)
('old_driving_force', -40991.914974923195, 0.0047004431059315954)
('sublsum', -6.8342336562819437)
(1.0, -41089.581588525893, 1.4493017896910487e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.90641326e-01 7.15953760e-10 6.09358673e-01], NP=0.640000001603381), CompositionSet(LAVES_C15, [ 0.61108209 0.33333333 0.05558458], NP=0.35999999839661906)])
('step', array([ -1.28939836e-03, 6.82993434e-10, 1.28939767e-03,
0.00000000e+00, -1.61467827e-02, 8.24888168e-10,
1.61467819e-02, 3.42804900e-10, -1.03090131e-09,
6.88096360e-10, 1.52958163e-09, -1.52958155e-09]))
('conv_angle', 89.835770144406567)
('Site fractions', array([ 3.90641326e-01, 7.15953760e-10, 6.09358673e-01,
1.00000000e+00, 9.16623132e-01, 8.66234484e-10,
8.33768670e-02, 3.70720148e-10, 9.99999999e-01,
7.26333052e-10]))
('Phase fractions', array([ 0.64, 0.36]))
('Chemical potentials', array([-39918.47594797, -40812.15257881, -42519.03956323]))
('Chem pot progress', array([-167.52396829, 598.11070795, 4.76643488]))
('Energy progress', -15.881553050523507)
('Driving force', 2.3666371108192834)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.90641326e-01 7.15953760e-10 6.09358673e-01], NP=0.640000001603381), CompositionSet(LAVES_C15, [ 0.61108209 0.33333333 0.05558458], NP=0.35999999839661906)])
('reduced_hessian eigenvalues', array([ 1.07939914e+04, 2.92303530e+11, 6.32517770e+11,
1.73904070e+12, 1.91599176e+12]))
('NEW_L_MULTIPLIERS', array([ 2716.64416207, -18806.22862023, -3088.84406901, -8252.12729063,
-39902.88901467, -40818.91271323, -42529.34539213]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-5.31219126e-17, 1.44930179e-11, -1.38777878e-17,
-1.44929624e-11]))
('penalty', 10000)
('old_driving_force', -41089.581588526264, 1.4493017896910487e-11)
('sublsum', -0.077384635242367578)
(1.0, -41089.621122567769, 5.4025173223948286e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.91299036e-01 1.33513575e-08 6.08700951e-01], NP=0.6400000311744387), CompositionSet(LAVES_C15, [ 0.60991284 0.33333334 0.05675382], NP=0.35999996882556135)])
('step', array([ 6.57709581e-04, 1.26354037e-08, -6.57722216e-04,
0.00000000e+00, -1.75386693e-03, 1.46493796e-08,
1.75385228e-03, 3.60409447e-09, -1.45457521e-08,
1.09416577e-08, 2.95710577e-08, -2.95710577e-08]))
('conv_angle', 89.981088721506609)
('Site fractions', array([ 3.91299036e-01, 1.33513575e-08, 6.08700951e-01,
1.00000000e+00, 9.14869265e-01, 1.55156141e-08,
8.51307193e-02, 3.97481462e-09, 9.99999984e-01,
1.16679907e-08]))
('Phase fractions', array([ 0.64000003, 0.35999997]))
('Chemical potentials', array([-39902.88901467, -40818.91271323, -42529.34539213]))
('Chem pot progress', array([ 15.5869333 , -6.76013442, -10.3058289 ]))
('Energy progress', -0.03953472831926774)
('Driving force', 0.037849606364034116)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.91299036e-01 1.33513575e-08 6.08700951e-01], NP=0.6400000311744387), CompositionSet(LAVES_C15, [ 0.60991284 0.33333334 0.05675382], NP=0.35999996882556135)])
('reduced_hessian eigenvalues', array([ 1.06036761e+04, 1.74482079e+10, 3.87179755e+10,
9.93586828e+10, 1.59842412e+11]))
('NEW_L_MULTIPLIERS', array([ 2716.67236805, -18806.21304664, -3088.88478379, -8252.07632025,
-39902.78062162, -40818.79007902, -42529.46319713]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -1.38777878e-17,
2.43616006e-17, 5.40250067e-11, 2.35922393e-16,
-5.40251732e-11]))
('penalty', 10000)
('old_driving_force', -41089.621122567783, 5.4025173223948286e-11)
('sublsum', -0.020488879972342645)
(1.0, -41089.638854055083, 7.8816952964189113e-12)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.91305111e-01 2.09918495e-07 6.08694679e-01], NP=0.6400005031414454), CompositionSet(LAVES_C15, [ 0.60990233 0.33333343 0.05676424], NP=0.35999949685855454)])
('step', array([ 6.07576770e-06, 1.96567137e-07, -6.27233484e-06,
0.00000000e+00, -1.57869710e-05, 2.17624031e-07,
1.55693470e-05, 2.92139706e-08, -1.72586725e-07,
1.43372754e-07, 4.71967007e-07, -4.71967007e-07]))
('conv_angle', 89.33183214306915)
('Site fractions', array([ 3.91305111e-01, 2.09918495e-07, 6.08694679e-01,
1.00000000e+00, 9.14853478e-01, 2.33139645e-07,
8.51462887e-02, 3.31887852e-08, 9.99999812e-01,
1.55040745e-07]))
('Phase fractions', array([ 0.6400005, 0.3599995]))
('Chemical potentials', array([-39902.78062162, -40818.79007902, -42529.46319713]))
('Chem pot progress', array([ 0.10839305, 0.12263422, -0.117805 ]))
('Energy progress', -0.017730685671267565)
('Driving force', 0.0027582550610532053)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.91305111e-01 2.09918495e-07 6.08694679e-01], NP=0.6400005031414454), CompositionSet(LAVES_C15, [ 0.60990233 0.33333343 0.05676424], NP=0.35999949685855454)])
('reduced_hessian eigenvalues', array([ 1.06032226e+04, 1.19881875e+09, 2.88195605e+09,
6.50682609e+09, 1.82077972e+10]))
('NEW_L_MULTIPLIERS', array([ 2716.89046632, -18806.34643502, -3088.78663447, -8251.8899646 ,
-39902.90123286, -40819.06001192, -42529.73963046]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -5.55111512e-17,
9.16595528e-19, 7.83012544e-12, 5.14310816e-14,
-7.88169530e-12]))
('penalty', 10000)
('old_driving_force', -41089.638854055083, 7.8816952964189113e-12)
('sublsum', -0.20517514718956359)
(1.0, -41089.813038123008, 3.0080715696101379e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.91307746e-01 2.72214946e-06 6.08689532e-01], NP=0.6400066222652736), CompositionSet(LAVES_C15, [ 0.60990136 0.33333463 0.05676401], NP=0.35999337773472645)])
('step', array([ 2.63479576e-06, 2.51223096e-06, -5.14702673e-06,
0.00000000e+00, -1.53947794e-06, 2.63824542e-06,
-1.09876748e-06, 1.73493522e-07, -1.67750170e-06,
1.50400818e-06, 6.11912383e-06, -6.11912383e-06]))
('conv_angle', 72.494971878648329)
('Site fractions', array([ 3.91307746e-01, 2.72214946e-06, 6.08689532e-01,
1.00000000e+00, 9.14851939e-01, 2.87138506e-06,
8.51451899e-02, 2.06682307e-07, 9.99998134e-01,
1.65904893e-06]))
('Phase fractions', array([ 0.64000662, 0.35999338]))
('Chemical potentials', array([-39902.90123286, -40819.06001192, -42529.73963046]))
('Chem pot progress', array([-0.12061123, -0.2699329 , -0.27643333]))
('Energy progress', -0.17418446092051454)
('Driving force', 0.030990635481430218)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.91307746e-01 2.72214946e-06 6.08689532e-01], NP=0.6400066222652736), CompositionSet(LAVES_C15, [ 0.60990136 0.33333463 0.05676401], NP=0.35999337773472645)])
('reduced_hessian eigenvalues', array([ 1.06042396e+04, 9.80470618e+07, 2.67028162e+08,
5.18259803e+08, 2.83410208e+09]))
('NEW_L_MULTIPLIERS', array([ 2718.80679135, -18807.71757118, -3087.92575018, -8250.08870888,
-39903.66741029, -40821.07234372, -42532.0655677 ]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 4.16333634e-17,
5.00028960e-17, 2.20490293e-11, 8.03179745e-12,
-3.00807157e-11]))
('penalty', 10000)
('old_driving_force', -41089.813038123044, 3.0080715696101379e-11)
('sublsum', -1.5862078707327307)
(1.0, -41091.126516378536, 2.9900570353014189e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.91333923e-01 2.83271752e-05 6.08637749e-01], NP=0.6400693551459045), CompositionSet(LAVES_C15, [ 0.60989291 0.33334719 0.05675989], NP=0.3599306448540954)])
('step', array([ 2.61772992e-05, 2.56050257e-05, -5.17823250e-05,
0.00000000e+00, -1.30208127e-05, 2.52792636e-05,
-1.22584510e-05, 7.02328108e-07, -1.28621967e-05,
1.21598686e-05, 6.27328806e-05, -6.27328806e-05]))
('conv_angle', 72.833913842536163)
('Site fractions', array([ 3.91333923e-01, 2.83271752e-05, 6.08637749e-01,
1.00000000e+00, 9.14838918e-01, 2.81506487e-05,
8.51329315e-02, 9.09010415e-07, 9.99985272e-01,
1.38189175e-05]))
('Phase fractions', array([ 0.64006936, 0.35993064]))
('Chemical potentials', array([-39903.66741029, -40821.07234372, -42532.0655677 ]))
('Chem pot progress', array([-0.76617744, -2.0123318 , -2.32593724]))
('Energy progress', -1.3135304180832463)
('Driving force', 0.27267066061904188)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.91333923e-01 2.83271752e-05 6.08637749e-01], NP=0.6400693551459045), CompositionSet(LAVES_C15, [ 0.60989291 0.33334719 0.05675989], NP=0.3599306448540954)])
('reduced_hessian eigenvalues', array([ 1.06018670e+04, 9.88403020e+06, 3.17746363e+07,
5.17553033e+07, 6.32377237e+08]))
('NEW_L_MULTIPLIERS', array([ 2731.57369528, -18818.44989255, -3082.17790092, -8236.59279563,
-39906.37826061, -40833.0302885 , -42546.70467184]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -2.77555756e-17,
-8.79559012e-18, 2.17204638e-09, 8.18010562e-10,
-2.99005704e-09]))
('penalty', 10000)
('old_driving_force', -41091.126516406635, 2.9900570353014189e-09)
('sublsum', -8.9837249193999966)
(1.0, -41098.322646791072, 1.7374749328169514e-07)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.91531717e-01 2.28592455e-04 6.08239691e-01], NP=0.6405594052532009), CompositionSet(LAVES_C15, [ 0.60983874 0.33344487 0.05671639], NP=0.3594405947467991)])
('step', array([ 1.97793110e-04, 2.00265280e-04, -3.98058390e-04,
0.00000000e+00, -8.21304948e-05, 1.83352771e-04,
-1.01222276e-04, 1.74115467e-06, -7.36619321e-05,
7.19207774e-05, 4.90050107e-04, -4.90050107e-04]))
('conv_angle', 73.128883658535486)
('Site fractions', array([ 3.91531717e-01, 2.28592455e-04, 6.08239691e-01,
1.00000000e+00, 9.14756787e-01, 2.11503419e-04,
8.50317092e-02, 2.65016508e-06, 9.99911610e-01,
8.57396949e-05]))
('Phase fractions', array([ 0.64055941, 0.35944059]))
('Chemical potentials', array([-39906.37826061, -40833.0302885 , -42546.70467184]))
('Chem pot progress', array([ -2.71085031, -11.95794478, -14.63910414]))
('Energy progress', -7.199140503820672)
('Driving force', 1.7842108161348733)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.91531717e-01 2.28592455e-04 6.08239691e-01], NP=0.6405594052532009), CompositionSet(LAVES_C15, [ 0.60983874 0.33344487 0.05671639], NP=0.3594405947467991)])
('reduced_hessian eigenvalues', array([ 1.05916546e+04, 1.27655134e+06, 5.05392978e+06,
6.72955653e+06, 2.14404098e+08]))
('NEW_L_MULTIPLIERS', array([ 2793.08610585, -18879.19704899, -3054.42728755, -8162.41905055,
-39905.59111561, -40888.11093656, -42611.83753785]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 5.55111512e-17,
9.89334482e-18, 1.23476155e-07, 5.02713378e-08,
-1.73747493e-07]))
('penalty', 10000)
('old_driving_force', -41098.322655435957, 1.7374749328169514e-07)
('sublsum', -34.726656316598991)
(1.0, -41124.854896519209, 5.3286507808447681e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.39260789 0.00137282 0.60601929], NP=0.6433340319972924), CompositionSet(LAVES_C15, [ 0.60960572 0.3339778 0.05641648], NP=0.35666596800270767)])
('step', array([ 1.07617730e-03, 1.14422335e-03, -2.22040065e-03,
0.00000000e+00, -3.50655115e-04, 9.44726681e-04,
-5.94071566e-04, 2.23681541e-06, -2.90656497e-04,
2.88419682e-04, 2.77462674e-03, -2.77462674e-03]))
('conv_angle', 73.409106582294726)
('Site fractions', array([ 3.92607894e-01, 1.37281581e-03, 6.06019290e-01,
1.00000000e+00, 9.14406132e-01, 1.15623010e-03,
8.44376376e-02, 4.88698049e-06, 9.99620954e-01,
3.74159377e-04]))
('Phase fractions', array([ 0.64333403, 0.35666597]))
('Chemical potentials', array([-39905.59111561, -40888.11093656, -42611.83753785]))
('Chem pot progress', array([ 0.787145 , -55.08064806, -65.13286602]))
('Energy progress', -26.62300577417045)
('Driving force', 8.0930577074468601)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.39260789 0.00137282 0.60601929], NP=0.6433340319972924), CompositionSet(LAVES_C15, [ 0.60960572 0.3339778 0.05641648], NP=0.35666596800270767)])
('reduced_hessian eigenvalues', array([ 1.05381808e+04, 2.20309514e+05, 1.09934952e+06,
1.22400933e+06, 1.14856322e+08]))
('NEW_L_MULTIPLIERS', array([ 2995.61721392, -19111.60144299, -2963.32282512, -7884.38285711,
-39851.89225501, -41073.61591184, -42802.18864198]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -2.77555756e-17,
7.30752264e-17, 3.63254624e-06, 1.69610454e-06,
-5.32865078e-06]))
('penalty', 10000)
('old_driving_force', -41124.855791261529, 5.3286507808447681e-06)
('sublsum', -83.115733324438011)
(1.0, -41183.548785117782, 7.5492181505432132e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.39649955 0.00586305 0.5976374 ], NP=0.6540023712356249), CompositionSet(LAVES_C15, [ 0.60906667 0.33582246 0.05511087], NP=0.3459976287643751)])
('step', array([ 3.89165491e-03, 4.49023481e-03, -8.38188972e-03,
0.00000000e+00, -8.09164284e-04, 3.11807480e-03,
-2.30891052e-03, 1.18356078e-06, -7.02182730e-04,
7.00999169e-04, 1.06683392e-02, -1.06683392e-02]))
('conv_angle', 73.763143818243577)
('Site fractions', array([ 3.96499549e-01, 5.86305062e-03, 5.97637401e-01,
1.00000000e+00, 9.13596968e-01, 4.27430490e-03,
8.21287271e-02, 6.07054128e-06, 9.98918771e-01,
1.07515855e-03]))
('Phase fractions', array([ 0.65400237, 0.34599763]))
('Chemical potentials', array([-39851.89225501, -41073.61591184, -42802.18864198]))
('Chem pot progress', array([ 53.6988606 , -185.50497528, -190.35110412]))
('Energy progress', -59.921670939082105)
('Driving force', 23.061983735613467)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.39649955 0.00586305 0.5976374 ], NP=0.6540023712356249), CompositionSet(LAVES_C15, [ 0.60906667 0.33582246 0.05511087], NP=0.3459976287643751)])
('reduced_hessian eigenvalues', array([ 1.03517845e+04, 5.27416140e+04, 2.89601902e+05,
3.89798732e+05, 8.97069073e+07]))
('NEW_L_MULTIPLIERS', array([ 3420.67753633, -19663.20015047, -2771.65500118, -7237.19151963,
-39641.0694685 , -41486.14623468, -43128.64806322]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -4.16333634e-17,
3.33934269e-17, 4.72682453e-05, 2.82239362e-05,
-7.54921815e-05]))
('penalty', 10000)
('old_driving_force', -41183.571752245327, 7.5492181505432132e-05)
('sublsum', -106.89594153133976)
(1.0, -41248.066004808454, 0.0004173517338673105)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.40486908 0.01695287 0.57817805], NP=0.6796192167679261), CompositionSet(LAVES_C15, [ 0.60884799 0.33920841 0.0519436 ], NP=0.32038078323207386)])
('step', array([ 8.36953203e-03, 1.10898156e-02, -1.94593477e-02,
0.00000000e+00, -3.28210333e-04, 5.53217620e-03,
-5.20396587e-03, 3.78952497e-07, -9.06512003e-04,
9.06133051e-04, 2.56168455e-02, -2.56168455e-02]))
('conv_angle', 74.563408066883284)
('Site fractions', array([ 4.04869081e-01, 1.69528663e-02, 5.78178053e-01,
1.00000000e+00, 9.13268758e-01, 9.80648110e-03,
7.69247612e-02, 6.44949377e-06, 9.98012259e-01,
1.98129160e-03]))
('Phase fractions', array([ 0.67961922, 0.32038078]))
('Chemical potentials', array([-39641.0694685 , -41486.14623468, -43128.64806322]))
('Chem pot progress', array([ 210.8227865 , -412.53032284, -326.45942125]))
('Energy progress', -70.45122994350822)
('Driving force', 35.972864794166526)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.40486908 0.01695287 0.57817805], NP=0.6796192167679261), CompositionSet(LAVES_C15, [ 0.60884799 0.33920841 0.0519436 ], NP=0.32038078323207386)])
('reduced_hessian eigenvalues', array([ 9.90718064e+03, 1.79680252e+04, 1.11927649e+05,
1.94138006e+05, 7.85034235e+07]))
('NEW_L_MULTIPLIERS', array([ 3910.62828122, -20377.39027782, -2532.54111527, -6419.73499776,
-39317.90600855, -42015.6713029 , -43398.43634405]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 4.16333634e-17,
0.00000000e+00, 2.20002916e-04, 1.97348818e-04,
-4.17351734e-04]))
('penalty', 10000)
('old_driving_force', -41248.14519717222, 0.0004173517338673105)
('sublsum', -57.020756406205749)
(1.0, -41276.844388896701, 0.00068161447035619549)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.41413648 0.03145969 0.55440383], NP=0.7132516806180678), CompositionSet(LAVES_C15, [ 0.60991549 0.34164857 0.04843594], NP=0.28674831938193224)])
('step', array([ 9.26740036e-03, 1.45068265e-02, -2.37742269e-02,
0.00000000e+00, 1.60105134e-03, 3.96361083e-03,
-5.56466217e-03, 4.01639132e-07, -6.06736412e-04,
6.06334772e-04, 3.36324639e-02, -3.36324639e-02]))
('conv_angle', 76.829740253435702)
('Site fractions', array([ 4.14136481e-01, 3.14596928e-02, 5.54403826e-01,
1.00000000e+00, 9.14869809e-01, 1.37700919e-02,
7.13600991e-02, 6.85113291e-06, 9.97405522e-01,
2.58762637e-03]))
('Phase fractions', array([ 0.71325168, 0.28674832]))
('Chemical potentials', array([-39317.90600855, -42015.6713029 , -43398.43634405]))
('Chem pot progress', array([ 323.16345996, -529.52506822, -269.78828083]))
('Energy progress', -33.46855213382514)
('Driving force', 24.178603123451467)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.41413648 0.03145969 0.55440383], NP=0.7132516806180678), CompositionSet(LAVES_C15, [ 0.60991549 0.34164857 0.04843594], NP=0.28674831938193224)])
('reduced_hessian eigenvalues', array([ 9.10742058e+03, 9.45594477e+03, 6.97396372e+04,
1.32895556e+05, 6.64831060e+07]))
('NEW_L_MULTIPLIERS', array([ 4126.34775863, -20752.50894649, -2400.72240417, -6006.73354257,
-39146.3493257 , -42299.42273483, -43470.86506678]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -5.55111512e-17,
-2.77555756e-17, 2.75782804e-04, 4.05831666e-04,
-6.81614470e-04]))
('penalty', 10000)
('old_driving_force', -41276.825914428737, 0.00068161447035619549)
('sublsum', -6.8483237031113475)
(1.0, -41290.644969247041, 0.00017062084158081525)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.41822809 0.03836832 0.54340359], NP=0.730842979364622), CompositionSet(LAVES_C15, [ 0.6107869 0.34207824 0.04713487], NP=0.269157020635378)])
('step', array([ 4.09161292e-03, 6.90862298e-03, -1.10002359e-02,
0.00000000e+00, 1.30696282e-03, 7.62165895e-04,
-2.06912871e-03, 2.94706936e-07, -2.35327894e-04,
2.35033187e-04, 1.75912987e-02, -1.75912987e-02]))
('conv_angle', 80.273526623199459)
('Site fractions', array([ 4.18228094e-01, 3.83683158e-02, 5.43403590e-01,
1.00000000e+00, 9.16176772e-01, 1.45322578e-02,
6.92909703e-02, 7.14583984e-06, 9.97170195e-01,
2.82265956e-03]))
('Phase fractions', array([ 0.73084298, 0.26915702]))
('Chemical potentials', array([-39146.3493257 , -42299.42273483, -43470.86506678]))
('Chem pot progress', array([ 171.55668285, -283.75143193, -72.42872273]))
('Energy progress', -4.888731169143284)
('Driving force', 3.7122025597418542)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.41822809 0.03836832 0.54340359], NP=0.730842979364622), CompositionSet(LAVES_C15, [ 0.6107869 0.34207824 0.04713487], NP=0.269157020635378)])
('reduced_hessian eigenvalues', array([ 7.49217706e+03, 8.89987705e+03, 6.17071622e+04,
1.14425165e+05, 5.99713525e+07]))
('NEW_L_MULTIPLIERS', array([ 4144.18069602, -20793.07957953, -2385.39482618, -5964.37740623,
-39128.34641121, -42330.75850801, -43473.40045561]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 2.77555756e-17,
6.85215773e-17, 5.66476083e-05, 1.13973233e-04,
-1.70620842e-04]))
('penalty', 10000)
('old_driving_force', -41290.642850219883, 0.00017062084158081525)
('sublsum', -0.04587609296534749)
(1.0, -41294.044699339633, 1.6782482891719575e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.41861119 0.03897704 0.54241177], NP=0.7326934568754021), CompositionSet(LAVES_C15, [ 0.61086007 0.34208995 0.04704997], NP=0.26730654312459795)])
('step', array([ 3.83094677e-04, 6.08724402e-04, -9.91819079e-04,
0.00000000e+00, 1.09742444e-04, 3.40569877e-05,
-1.43799432e-04, 4.57394182e-08, -3.29688064e-05,
3.29230670e-05, 1.85047751e-03, -1.85047751e-03]))
('conv_angle', 82.879942196333019)
('Site fractions', array([ 4.18611189e-01, 3.89770402e-02, 5.42411771e-01,
1.00000000e+00, 9.16286514e-01, 1.45663148e-02,
6.91471709e-02, 7.19157926e-06, 9.97137226e-01,
2.85558262e-03]))
('Phase fractions', array([ 0.73269346, 0.26730654]))
('Chemical potentials', array([-39128.34641121, -42330.75850801, -43473.40045561]))
('Chem pot progress', array([ 18.00291449, -31.33577318, -2.53538883]))
('Energy progress', -0.3956105636461871)
('Driving force', 0.029756728959910106)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.41861119 0.03897704 0.54241177], NP=0.7326934568754021), CompositionSet(LAVES_C15, [ 0.61086007 0.34208995 0.04704997], NP=0.26730654312459795)])
('reduced_hessian eigenvalues', array([ 7.37286561e+03, 8.85343424e+03, 6.11198035e+04,
1.12340330e+05, 5.91939496e+07]))
('NEW_L_MULTIPLIERS', array([ 4144.25484726, -20793.30977722, -2385.29691826, -5964.1429546 ,
-39128.24118132, -42330.94656894, -43473.39346818]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-9.67108338e-17, 5.73495921e-07, 1.10475237e-06,
-1.67824829e-06]))
('penalty', 10000)
('old_driving_force', -41294.044699180493, 1.6782482891719575e-06)
('sublsum', -1.0392334578300559e-06)
(1.0, -41294.078263681688, 4.9220238995673071e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.41861317 0.03897984 0.54240699], NP=0.7327039732101851), CompositionSet(LAVES_C15, [ 0.61086005 0.34209008 0.04704987], NP=0.26729602678981496)])
('step', array([ 1.98521905e-06, 2.79701429e-06, -4.78223334e-06,
0.00000000e+00, -3.55876713e-08, 4.06509406e-07,
-3.70921734e-07, 4.77890285e-10, -4.36704550e-07,
4.36226660e-07, 1.05163348e-05, -1.05163348e-05]))
('conv_angle', 84.785017174491557)
('Site fractions', array([ 4.18613174e-01, 3.89798372e-02, 5.42406989e-01,
1.00000000e+00, 9.16286479e-01, 1.45667213e-02,
6.91468000e-02, 7.19205715e-06, 9.97136789e-01,
2.85601885e-03]))
('Phase fractions', array([ 0.73270397, 0.26729603]))
('Chemical potentials', array([-39128.24118132, -42330.94656894, -43473.39346818]))
('Chem pot progress', array([ 0.10522989, -0.18806093, 0.00698743]))
('Energy progress', -0.0037544439546763897)
('Driving force', 7.8342418419197202e-07)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.41861317 0.03897984 0.54240699], NP=0.7327039732101851), CompositionSet(LAVES_C15, [ 0.61086005 0.34209008 0.04704987], NP=0.26729602678981496)])
('reduced_hessian eigenvalues', array([ 7.36982157e+03, 8.85153803e+03, 6.11163320e+04,
1.12320557e+05, 5.91877616e+07]))
('NEW_L_MULTIPLIERS', array([ 4144.2549121 , -20793.30985364, -2385.29688312, -5964.14289368,
-39128.2412335 , -42330.94648029, -43473.39343241]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 4.16333634e-17,
3.38271078e-17, 2.11251017e-11, 2.80951928e-11,
-4.92202390e-11]))
('penalty', 10000)
('old_driving_force', -41294.078263681688, 4.9220238995673071e-11)
('sublsum', -1.8863287259644717e-13)
(1.0, -41294.07826466611, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.41861317 0.03897984 0.54240699], NP=0.7327039761277425), CompositionSet(LAVES_C15, [ 0.61086005 0.34209008 0.04704987], NP=0.26729602387225737)])
('step', array([ 1.02513186e-09, 1.08555004e-09, -2.11068180e-09,
0.00000000e+00, -1.18603769e-09, 3.63291291e-10,
8.22746359e-10, -3.51500464e-14, -4.35245836e-11,
4.35596999e-11, 2.91755746e-09, -2.91755759e-09]))
('conv_angle', 80.066908635238278)
('Site fractions', array([ 4.18613175e-01, 3.89798383e-02, 5.42406987e-01,
1.00000000e+00, 9.16286477e-01, 1.45667217e-02,
6.91468008e-02, 7.19205711e-06, 9.97136789e-01,
2.85601889e-03]))
('Phase fractions', array([ 0.73270398, 0.26729602]))
('Chemical potentials', array([-39128.2412335 , -42330.94648029, -43473.39343241]))
('Chem pot progress', array([ -5.21771581e-05, 8.86529015e-05, 3.57764220e-05]))
('Energy progress', -1.2389500625431538e-07)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.41861317 0.03897984 0.54240699], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.41861317 0.03897984 0.54240699], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.41861318 0.03897984 0.54240699], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.41861318 0.03897984 0.54240699], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.41861317 0.03897984 0.54240699], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.41861317 0.03897984 0.54240699], NP=1.0), 7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.61086005 0.34209008 0.04704987], NP=1.0), 2.9103830456733704e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 4.44444444e-01 1.00000000e-12 5.55555556e-01], NP=0.6766829508066741), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.32331704919332604)])
('reduced_hessian eigenvalues', array([ 7.58443689e+03, 1.31546898e+14, 2.93185360e+14,
5.32741422e+14, 9.12881105e+14]))
('NEW_L_MULTIPLIERS', array([ 2585.23593218, -17984.24993365, -3395.31454972, -8886.92113041,
-39903.50445896, -41140.24692555, -42396.99217859]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, 2.23432665e-02, -2.22276503e-02,
-1.15616278e-04]))
('penalty', 10000)
('old_driving_force', -40590.944917992674, 0.022343266546682394)
('sublsum', -93.23077971093457)
(1.0, -40951.488797741542, 0.0058496044911994227)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.83859997e-01 3.24590125e-11 6.16140003e-01], NP=0.6100000000711729), CompositionSet(LAVES_C15, [ 0.61973079 0.33333333 0.04693588], NP=0.38999999992882706)])
('step', array([ -6.05844474e-02, 3.14590125e-11, 6.05844473e-02,
0.00000000e+00, 4.07072891e-02, 4.09801446e-11,
-4.07072892e-02, 2.72662344e-11, -6.50117616e-11,
3.77457349e-11, -6.66829507e-02, 6.66829507e-02]))
('conv_angle', 89.694925982659939)
('Site fractions', array([ 3.83859997e-01, 3.24590125e-11, 6.16140003e-01,
1.00000000e+00, 9.29596178e-01, 4.19801446e-11,
7.04038219e-02, 2.82662344e-11, 1.00000000e+00,
3.87457349e-11]))
('Phase fractions', array([ 0.61, 0.39]))
('Chemical potentials', array([-39903.50445896, -41140.24692555, -42396.99217859]))
('Chem pot progress', array([-1331.63619335, 1776.36324039, 1101.10189913]))
('Energy progress', 53.280066893814364)
('Driving force', -6.8048200967095909)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.83859997e-01 3.24590125e-11 6.16140003e-01], NP=0.6100000000711729), CompositionSet(LAVES_C15, [ 0.61973079 0.33333333 0.04693588], NP=0.38999999992882706)])
('reduced_hessian eigenvalues', array([ 1.33003567e+04, 5.41157903e+12, 1.30213389e+13,
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('old_driving_force', -41234.257039935415, 0.00044358217766210517)
('sublsum', -59.014873093870392)
(1.0, -41263.635955145182, 0.00073293843811400583)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.40700191 0.03295495 0.56004314], NP=0.6848164854427478), CompositionSet(LAVES_C15, [ 0.60781333 0.34224661 0.04994007], NP=0.3151835145572523)])
('step', array([ 9.95893451e-03, 1.53299544e-02, -2.52888889e-02,
0.00000000e+00, 2.10717901e-03, 4.18129135e-03,
-6.28847036e-03, 4.10097544e-07, -6.08277234e-04,
6.07867137e-04, 3.44115515e-02, -3.44115515e-02]))
('conv_angle', 76.672572033368994)
('Site fractions', array([ 4.07001909e-01, 3.29549503e-02, 5.60043141e-01,
1.00000000e+00, 9.11716654e-01, 1.46672463e-02,
7.36161000e-02, 6.66907951e-06, 9.97405328e-01,
2.58800299e-03]))
('Phase fractions', array([ 0.68481649, 0.31518351]))
('Chemical potentials', array([-39458.65119347, -41779.2422693 , -43316.25224999]))
('Chem pot progress', array([ 356.51477421, -579.62607977, -288.40740117]))
('Energy progress', -34.58609521296603)
('Driving force', 25.07373202641611)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.40700191 0.03295495 0.56004314], NP=0.6848164854427478), CompositionSet(LAVES_C15, [ 0.60781333 0.34224661 0.04994007], NP=0.3151835145572523)])
('reduced_hessian eigenvalues', array([ 8.87848589e+03, 9.90768931e+03, 7.13455354e+04,
1.45541971e+05, 7.47393488e+07]))
('NEW_L_MULTIPLIERS', array([ 4002.16866757, -19960.6122217 , -2625.77377008, -6642.45083371,
-39272.63466029, -42085.44037852, -43391.50066868]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -4.16333634e-17,
-1.13624388e-16, 2.94356818e-04, 4.38581620e-04,
-7.32938438e-04]))
('penalty', 10000)
('old_driving_force', -41263.611569975619, 0.00073293843811400583)
('sublsum', -7.0683600548204062)
(1.0, -41278.27845917947, 0.00018510698335977294)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.41136695 0.0402928 0.54834025], NP=0.70285497670762), CompositionSet(LAVES_C15, [ 0.60888801 0.34261304 0.04849895], NP=0.29714502329237996)])
('step', array([ 4.36504507e-03, 7.33784941e-03, -1.17028945e-02,
0.00000000e+00, 1.61187605e-03, 6.66185299e-04,
-2.27806135e-03, 3.06227287e-07, -2.33077898e-04,
2.32771670e-04, 1.80384913e-02, -1.80384913e-02]))
('conv_angle', 80.300839685550898)
('Site fractions', array([ 4.11366954e-01, 4.02927997e-02, 5.48340247e-01,
1.00000000e+00, 9.13328530e-01, 1.53334316e-02,
7.13380387e-02, 6.97530680e-06, 9.97172250e-01,
2.82077466e-03]))
('Phase fractions', array([ 0.70285498, 0.29714502]))
('Chemical potentials', array([-39272.63466029, -42085.44037852, -43391.50066868]))
('Chem pot progress', array([ 186.01653318, -306.19810922, -75.24841869]))
('Energy progress', -5.086780787110911)
('Driving force', 3.865208168666868)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.41136695 0.0402928 0.54834025], NP=0.70285497670762), CompositionSet(LAVES_C15, [ 0.60888801 0.34261304 0.04849895], NP=0.29714502329237996)])
('reduced_hessian eigenvalues', array([ 7.22233859e+03, 9.50099422e+03, 6.39504486e+04,
1.26001909e+05, 6.75611078e+07]))
('NEW_L_MULTIPLIERS', array([ 4020.05198061, -20001.91924949, -2610.70172634, -6599.1248681 ,
-39253.42152087, -42119.04255373, -43393.61802468]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.38777878e-17,
2.03830008e-17, 5.93531114e-05, 1.25753872e-04,
-1.85106983e-04]))
('penalty', 10000)
('old_driving_force', -41278.275765872815, 0.00018510698335977294)
('sublsum', -0.045524136355251793)
(1.0, -41281.965188739894, 1.7762271439236699e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.41177009 0.04092537 0.54730454], NP=0.7047360423438382), CompositionSet(LAVES_C15, [ 0.6089851 0.3426074 0.04840751], NP=0.2952639576561618)])
('step', array([ 4.03139956e-04, 6.32571418e-04, -1.03571137e-03,
0.00000000e+00, 1.45602021e-04, 7.49564846e-06,
-1.53097669e-04, 4.80717782e-08, -3.19085964e-05,
3.18605246e-05, 1.88106564e-03, -1.88106564e-03]))
('conv_angle', 83.051304387981688)
('Site fractions', array([ 4.11770094e-01, 4.09253711e-02, 5.47304535e-01,
1.00000000e+00, 9.13474132e-01, 1.53409272e-02,
7.11849410e-02, 7.02337858e-06, 9.97140341e-01,
2.85263518e-03]))
('Phase fractions', array([ 0.70473604, 0.29526396]))
('Chemical potentials', array([-39253.42152087, -42119.04255373, -43393.61802468]))
('Chem pot progress', array([ 19.21313942, -33.60217522, -2.117356 ]))
('Energy progress', -0.42491038185107755)
('Driving force', 0.030143382602545898)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.41177009 0.04092537 0.54730454], NP=0.7047360423438382), CompositionSet(LAVES_C15, [ 0.6089851 0.3426074 0.04840751], NP=0.2952639576561618)])
('reduced_hessian eigenvalues', array([ 7.10831605e+03, 9.45694443e+03, 6.34857186e+04,
1.23825507e+05, 6.66926461e+07]))
('NEW_L_MULTIPLIERS', array([ 4020.11240568, -20002.15909578, -2610.61195889, -6598.90480547,
-39253.31039027, -42119.24429771, -43393.60767996]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 1.38777878e-17,
4.68375339e-17, 5.75711270e-07, 1.20051587e-06,
-1.77622714e-06]))
('penalty', 10000)
('old_driving_force', -41281.965188543298, 1.7762271439236699e-06)
('sublsum', -7.8891307236209808e-07)
(1.0, -41282.000712646528, 4.1702807873633674e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.41177195 0.0409279 0.54730015], NP=0.7047458790759789), CompositionSet(LAVES_C15, [ 0.60898529 0.34260735 0.04840736], NP=0.29525412092402115)])
('step', array([ 1.85582440e-06, 2.52723520e-06, -4.38305959e-06,
0.00000000e+00, 2.86138425e-07, 1.28437666e-07,
-4.14576092e-07, 5.00866399e-10, -3.98961514e-07,
3.98460647e-07, 9.83673214e-06, -9.83673214e-06]))
('conv_angle', 85.371026795088937)
('Site fractions', array([ 4.11771950e-01, 4.09278984e-02, 5.47300152e-01,
1.00000000e+00, 9.13474418e-01, 1.53410556e-02,
7.11845264e-02, 7.02387944e-06, 9.97139942e-01,
2.85303364e-03]))
('Phase fractions', array([ 0.70474588, 0.29525412]))
('Chemical potentials', array([-39253.31039027, -42119.24429771, -43393.60767996]))
('Chem pot progress', array([ 0.1111306 , -0.20174397, 0.01034472]))
('Energy progress', -0.003913803600880783)
('Driving force', 6.318005034700036e-07)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.41177195 0.0409279 0.54730015], NP=0.7047458790759789), CompositionSet(LAVES_C15, [ 0.60898529 0.34260735 0.04840736], NP=0.29525412092402115)])
('reduced_hessian eigenvalues', array([ 7.11056869e+03, 9.45739954e+03, 6.34813368e+04,
1.23805170e+05, 6.66857611e+07]))
('NEW_L_MULTIPLIERS', array([ 4020.11235478, -20002.15907137, -2610.61196998, -6598.90482792,
-39253.31037231, -42119.24432812, -43393.60768959]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -4.16333634e-17,
1.86482774e-17, 1.63771219e-11, 2.53256027e-11,
-4.17028079e-11]))
('penalty', 10000)
('old_driving_force', -41282.000712646528, 4.1702807873633674e-11)
('sublsum', -2.7486051943697052e-14)
(1.0, -41282.000713480564, 8.4567769453869346e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.41177195 0.0409279 0.54730015], NP=0.7047458780466886), CompositionSet(LAVES_C15, [ 0.60898529 0.34260735 0.04840736], NP=0.2952541219533113)])
('step', array([ -3.97075778e-10, -4.48960533e-10, 8.46036422e-10,
0.00000000e+00, 3.07190508e-10, -7.73215369e-11,
-2.29868929e-10, 4.54775406e-14, -4.28634754e-11,
4.28179792e-11, -1.02929015e-09, 1.02929015e-09]))
('conv_angle', 78.033465931059865)
('Site fractions', array([ 4.11771949e-01, 4.09278979e-02, 5.47300153e-01,
1.00000000e+00, 9.13474418e-01, 1.53410556e-02,
7.11845262e-02, 7.02387949e-06, 9.97139942e-01,
2.85303368e-03]))
('Phase fractions', array([ 0.70474588, 0.29525412]))
('Chemical potentials', array([-39253.31037231, -42119.24432812, -43393.60768959]))
('Chem pot progress', array([ 1.79550771e-05, -3.04148998e-05, -9.63289494e-06]))
('Energy progress', -1.0005896911025047e-07)
('Driving force', 2.9103830456733704e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.41177195 0.0409279 0.54730015], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.41177195 0.0409279 0.54730015], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.41177195 0.0409279 0.54730015], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.41177195 0.0409279 0.54730015], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.41177195 0.0409279 0.54730015], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.41177195 0.0409279 0.54730015], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.41177195 0.0409279 0.54730015], NP=1.0), -1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.60898529 0.34260735 0.04840736], NP=1.0), -7.275957614183426e-12)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 4.44444444e-01 1.00000000e-12 5.55555556e-01], NP=0.6973776596776424), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.30262234032235763)])
('reduced_hessian eigenvalues', array([ 7.11935728e+03, 1.28581923e+14, 2.81233557e+14,
5.00058204e+14, 8.53804443e+14]))
('NEW_L_MULTIPLIERS', array([ 2567.70125232, -18042.14631193, -3373.06312713, -8900.03252216,
-40120.79054105, -40788.05347852, -42216.353683 ]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, 2.92773838e-02, -2.91258866e-02,
-1.51497192e-04]))
('penalty', 10000)
('old_driving_force', -40463.350948058331, 0.029277383750992536)
('sublsum', -125.35531085863065)
(1.0, -40914.824639854691, 0.008631132325133406)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.72329301e-01 3.16080786e-11 6.27670699e-01], NP=0.6100000000713967), CompositionSet(LAVES_C15, [ 0.61925707 0.33333333 0.04740959], NP=0.3899999999286033)])
('step', array([ -7.21151431e-02, 3.06080786e-11, 7.21151430e-02,
0.00000000e+00, 3.99967207e-02, 4.38601204e-11,
-3.99967208e-02, 2.91162467e-11, -6.94444840e-11,
4.03284516e-11, -8.73776596e-02, 8.73776596e-02]))
('conv_angle', 89.669398475661495)
('Site fractions', array([ 3.72329301e-01, 3.16080786e-11, 6.27670699e-01,
1.00000000e+00, 9.28885610e-01, 4.48601204e-11,
7.11143903e-02, 3.01162467e-11, 1.00000000e+00,
4.13284516e-11]))
('Phase fractions', array([ 0.61, 0.39]))
('Chemical potentials', array([-40120.79054105, -40788.05347852, -42216.353683 ]))
('Chem pot progress', array([-1548.92227544, 2128.55668742, 1281.74039472]))
('Energy progress', 87.077092032544897)
('Driving force', -20.731675234506838)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.72329301e-01 3.16080786e-11 6.27670699e-01], NP=0.6100000000713967), CompositionSet(LAVES_C15, [ 0.61925707 0.33333333 0.04740959], NP=0.3899999999286033)])
('reduced_hessian eigenvalues', array([ 1.32563252e+04, 5.14091896e+12, 1.24248320e+13,
2.67267851e+13, 4.13367247e+13]))
('NEW_L_MULTIPLIERS', array([ 2544.18461833, -18007.18904527, -3199.5564581 , -9037.44300562,
-40500.80652892, -39824.3181123 , -42161.36146401]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 2.77555756e-17,
6.64655870e-17, 8.63113233e-03, -2.14214757e-12,
-8.63113232e-03]))
('penalty', 10000)
('old_driving_force', -40911.070026456786, 0.008631132325133406)
('sublsum', -13.75250174037528)
(1.0, -41091.156056829946, 1.4984680163365738e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.67656229e-01 6.92797177e-10 6.32343771e-01], NP=0.6100000015478718), CompositionSet(LAVES_C15, [ 0.60443513 0.33333333 0.06223154], NP=0.38999999845212807)])
('step', array([ -4.67307259e-03, 6.61189099e-10, 4.67307192e-03,
0.00000000e+00, -2.22329144e-02, 9.01667575e-10,
2.22329135e-02, 3.64416785e-10, -1.10352587e-09,
7.39109024e-10, 1.47647521e-09, -1.47647522e-09]))
('conv_angle', 89.759787181098702)
('Site fractions', array([ 3.67656229e-01, 6.92797177e-10, 6.32343771e-01,
1.00000000e+00, 9.06652695e-01, 9.46527696e-10,
9.33473038e-02, 3.94533032e-10, 9.99999999e-01,
7.80437475e-10]))
('Phase fractions', array([ 0.61, 0.39]))
('Chemical potentials', array([-40500.80652892, -39824.3181123 , -42161.36146401]))
('Chem pot progress', array([-380.01598787, 963.73536622, 54.99221899]))
('Energy progress', -21.795853518189688)
('Driving force', 2.5345010180972167)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.67656229e-01 6.92797177e-10 6.32343771e-01], NP=0.6100000015478718), CompositionSet(LAVES_C15, [ 0.60443513 0.33333333 0.06223154], NP=0.38999999845212807)])
('reduced_hessian eigenvalues', array([ 1.06352592e+04, 2.75872664e+11, 6.39453672e+11,
1.77299898e+12, 1.99328968e+12]))
('NEW_L_MULTIPLIERS', array([ 2547.34785115, -18002.73600029, -3212.00159796, -9022.63747321,
-40468.56300663, -39853.72164652, -42182.60296132]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -2.77555756e-17,
9.37874818e-17, 1.49845136e-11, 0.00000000e+00,
-1.49846802e-11]))
('penalty', 10000)
('old_driving_force', -41091.156056830747, 1.4984680163365738e-11)
('sublsum', -0.23395441093573199)
(1.0, -41091.274697628956, 9.6901875412669369e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.68951912e-01 1.30474194e-08 6.31048075e-01], NP=0.6100000307154084), CompositionSet(LAVES_C15, [ 0.60240857 0.33333334 0.06425809], NP=0.38999996928459163)])
('step', array([ 1.29568349e-03, 1.23546222e-08, -1.29569584e-03,
0.00000000e+00, -3.03984820e-03, 1.61372215e-08,
3.03983206e-03, 3.77748508e-09, -1.54575772e-08,
1.16800920e-08, 2.91675366e-08, -2.91675364e-08]))
('conv_angle', 89.966990707680083)
('Site fractions', array([ 3.68951912e-01, 1.30474194e-08, 6.31048075e-01,
1.00000000e+00, 9.03612847e-01, 1.70837492e-08,
9.63871358e-02, 4.17201811e-09, 9.99999983e-01,
1.24605295e-08]))
('Phase fractions', array([ 0.61000003, 0.38999997]))
('Chemical potentials', array([-40468.56300663, -39853.72164652, -42182.60296132]))
('Chem pot progress', array([ 32.2435223 , -29.40353423, -21.24149731]))
('Energy progress', -0.11864229615457589)
('Driving force', 0.11531166965869488)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.68951912e-01 1.30474194e-08 6.31048075e-01], NP=0.6100000307154084), CompositionSet(LAVES_C15, [ 0.60240857 0.33333334 0.06425809], NP=0.38999996928459163)])
('reduced_hessian eigenvalues', array([ 1.03587182e+04, 1.64596989e+10, 3.92624817e+10,
1.02834460e+11, 1.64089173e+11]))
('NEW_L_MULTIPLIERS', array([ 2547.40104015, -18002.6839834 , -3212.13929625, -9022.52996767,
-40468.206154 , -39853.33046352, -42182.89801234]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.38777878e-17,
-1.06683447e-16, 9.69018199e-11, 1.94289029e-16,
-9.69018754e-11]))
('penalty', 10000)
('old_driving_force', -41091.274697629022, 9.6901875412669369e-11)
('sublsum', -0.021276770528689169)
(1.0, -41091.293107045647, 2.1387336346379016e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 3.68969608e-01 2.07420362e-07 6.31030184e-01], NP=0.6100005040404609), CompositionSet(LAVES_C15, [ 0.60238117 0.33333344 0.06428539], NP=0.38999949595953903)])
('step', array([ 1.76960409e-05, 1.94372943e-07, -1.78904139e-05,
0.00000000e+00, -4.11080630e-05, 2.41834685e-07,
4.08662284e-05, 3.01077875e-08, -1.82073093e-07,
1.51965306e-07, 4.73325052e-07, -4.73325053e-07]))
('conv_angle', 89.733601592380879)
('Site fractions', array([ 3.68969608e-01, 2.07420362e-07, 6.31030184e-01,
1.00000000e+00, 9.03571739e-01, 2.58918435e-07,
9.64280021e-02, 3.42798056e-08, 9.99999801e-01,
1.64425836e-07]))
('Phase fractions', array([ 0.6100005, 0.3899995]))
('Chemical potentials', array([-40468.206154 , -39853.33046352, -42182.89801234]))
('Chem pot progress', array([ 0.35685263, 0.39118301, -0.29505102]))
('Energy progress', -0.018408035786706023)
('Driving force', 0.0028686836594715714)
('Composition Sets', [CompositionSet(BCC_A2, [ 3.68969608e-01 2.07420362e-07 6.31030184e-01], NP=0.6100005040404609), CompositionSet(LAVES_C15, [ 0.60238117 0.33333344 0.06428539], NP=0.38999949595953903)])
('reduced_hessian eigenvalues', array([ 1.03572375e+04, 1.12606528e+09, 2.93517595e+09,
6.66054057e+09, 1.89625643e+10]))
('NEW_L_MULTIPLIERS', array([ 2547.61360096, -18002.82285136, -3212.04132123, -9022.32418997,
-40468.30991737, -39853.68715026, -42183.18411443]))
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0.00000000e+00, -4.59570065e-07, 4.20087035e-07,
3.94830298e-08, 5.86291704e-10, -5.05187574e-07,
5.04601282e-07, 9.71535851e-06, -9.71535851e-06]))
('conv_angle', 86.374119184196587)
('Site fractions', array([ 4.01345814e-01, 4.42468065e-02, 5.54407379e-01,
1.00000000e+00, 9.09000669e-01, 1.66151002e-02,
7.43842308e-02, 6.77951243e-06, 9.97143448e-01,
2.84977263e-03]))
('Phase fractions', array([ 0.71340234, 0.28659766]))
('Chemical potentials', array([-39445.68531958, -41795.40990719, -43276.64426071]))
('Chem pot progress', array([ 0.10131361, -0.1865462 , 0.02592302]))
('Energy progress', -0.004865949958912097)
('Driving force', 5.2279210649430752e-07)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.40134581 0.04424681 0.55440738], NP=0.7134023425593108), CompositionSet(LAVES_C15, [ 0.60600271 0.34345788 0.05053941], NP=0.28659765744068927)])
('reduced_hessian eigenvalues', array([ 6.53647116e+03, 8.80209382e+03, 5.69914134e+04,
1.20365747e+05, 6.71511078e+07]))
('NEW_L_MULTIPLIERS', array([ 4127.29577873, -20246.62441668, -2497.91291859, -6421.02557958,
-39445.68534271, -41795.40986805, -43276.6442459 ]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -4.16333634e-17,
1.47451495e-17, 2.13082885e-11, 1.90393257e-11,
-4.03475586e-11]))
('penalty', 10000)
('old_driving_force', -41321.842680503018, 4.0347558627473745e-11)
('sublsum', -1.5307207415070923e-13)
(1.0, -41321.842681309987, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.40134582 0.04424681 0.55440738], NP=0.7134023453641851), CompositionSet(LAVES_C15, [ 0.60600271 0.34345788 0.05053941], NP=0.2865976546358148)])
('step', array([ 9.64519748e-10, 1.10382683e-09, -2.06834658e-09,
0.00000000e+00, -7.08475732e-10, 2.04802953e-10,
5.03672820e-10, 3.10031807e-14, -6.69213518e-11,
6.68903339e-11, 2.80487437e-09, -2.80487444e-09]))
('conv_angle', 80.809334916716026)
('Site fractions', array([ 4.01345815e-01, 4.42468076e-02, 5.54407377e-01,
1.00000000e+00, 9.09000668e-01, 1.66151004e-02,
7.43842313e-02, 6.77951246e-06, 9.97143448e-01,
2.84977270e-03]))
('Phase fractions', array([ 0.71340235, 0.28659765]))
('Chemical potentials', array([-39445.68534271, -41795.40986805, -43276.6442459 ]))
('Chem pot progress', array([ -2.31309314e-05, 3.91401773e-05, 1.48165782e-05]))
('Energy progress', -1.0984513210132718e-07)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.40134582 0.04424681 0.55440738], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.40134582 0.04424681 0.55440738], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.40134583 0.0442468 0.55440737], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.40134582 0.04424681 0.55440738], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.40134582 0.04424681 0.55440738], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.40134582 0.04424681 0.55440738], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.40134581 0.04424681 0.55440738], NP=1.0), 1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.60600271 0.34345788 0.05053941], NP=1.0), -7.275957614183426e-12)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.5044269988435512), CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=0.4955730011564488)])
('reduced_hessian eigenvalues', array([ 3.56141418e+03, 1.21352108e+04, 2.52490976e+14,
7.88861620e+14, 8.36603550e+14]))
('NEW_L_MULTIPLIERS', array([ -4088.42235498, -12476.59629048, 4531.9205096 , -12261.40604075,
-41110.98429188, -38468.21687509, -43560.63346562]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 5.55111512e-17,
0.00000000e+00, 3.84229075e-03, 7.51434473e-04,
-4.59372522e-03]))
('penalty', 10000)
('old_driving_force', -40181.433070486433, 0.0045937252187900068)
('sublsum', -65.306905581820018)
(1.0, -40278.667102306499, 0.0013448340152563132)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61108732 0.33333333 0.05557935], NP=0.5261887339163657), CompositionSet(BCC_A2, [ 0.16841636 0.55809061 0.27349302], NP=0.47381126608363444)])
('step', array([ 2.77420922e-02, 3.63685880e-11, -2.77420922e-02,
2.27841942e-11, -5.46650080e-11, 3.18810124e-11,
-4.33033781e-02, 8.00192524e-03, 3.53014528e-02,
0.00000000e+00, 2.17617351e-02, -2.17617351e-02]))
('conv_angle', 89.255302780388092)
('Site fractions', array([ 9.16630981e-01, 3.73685880e-11, 8.33690189e-02,
2.37841942e-11, 1.00000000e+00, 3.28810124e-11,
1.68416363e-01, 5.58090612e-01, 2.73493024e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.52618873, 0.47381127]))
('Chemical potentials', array([-41110.98429188, -38468.21687509, -43560.63346562]))
('Chem pot progress', array([ 37.173146 , -77.30388818, -307.21546042]))
('Energy progress', -31.344612771499669)
('Driving force', 34.546713679126697)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61108732 0.33333333 0.05557935], NP=0.5261887339163657), CompositionSet(BCC_A2, [ 0.16841636 0.55809061 0.27349302], NP=0.47381126608363444)])
('reduced_hessian eigenvalues', array([ 4.25354810e+03, 1.49794772e+04, 1.28189177e+13,
3.25469154e+13, 4.38362065e+13]))
('NEW_L_MULTIPLIERS', array([ -4094.68247733, -12535.9387501 , 4441.8189165 , -12207.1053599 ,
-41160.40672641, -38342.25730552, -43569.75051417]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -1.88611240e-17, -1.11022302e-16,
0.00000000e+00, 1.34483402e-03, -1.74135777e-04,
-1.17069824e-03]))
('penalty', 10000)
('old_driving_force', -40278.589376580589, 0.0013448340152563132)
('sublsum', -0.6123792251356065)
(1.0, -40305.68479748402, 5.5274442864738926e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60825382 0.33333333 0.05841285], NP=0.5284108999233943), CompositionSet(BCC_A2, [ 0.16664864 0.55951224 0.27383911], NP=0.47158910007660576)])
('step', array([ -4.25025474e-03, 7.71830031e-10, 4.25025397e-03,
2.86007688e-10, -8.69877990e-10, 5.83870322e-10,
-1.76771858e-03, 1.42162859e-03, 3.46089987e-04,
0.00000000e+00, 2.22216601e-03, -2.22216601e-03]))
('conv_angle', 89.916867588313579)
('Site fractions', array([ 9.12380726e-01, 8.09198619e-10, 8.76192729e-02,
3.09791882e-10, 9.99999999e-01, 6.16751334e-10,
1.66648645e-01, 5.59512241e-01, 2.73839114e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.5284109, 0.4715891]))
('Chemical potentials', array([-41160.40672641, -38342.25730552, -43569.75051417]))
('Chem pot progress', array([ -49.42243453, 125.95956957, -9.11704856]))
('Energy progress', -2.6613836856849957)
('Driving force', 0.12064089119667187)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60825382 0.33333333 0.05841285], NP=0.5284108999233943), CompositionSet(BCC_A2, [ 0.16664864 0.55951224 0.27383911], NP=0.47158910007660576)])
('reduced_hessian eigenvalues', array([ 4.28109909e+03, 1.45669817e+04, 7.45343779e+11,
1.52256965e+12, 3.06124192e+12]))
('NEW_L_MULTIPLIERS', array([ -4095.15174201, -12536.10802028, 4441.81789842, -12206.37634977,
-41159.68937022, -38342.09163748, -43571.25177329]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 1.75680690e-17, 5.55111512e-17,
0.00000000e+00, -2.36835005e-06, -3.15909424e-06,
5.52744429e-06]))
('penalty', 10000)
('old_driving_force', -40305.684786963582, 5.5274442864738926e-06)
('sublsum', -0.001015748518024261)
(1.0, -40305.796124400666, 1.7744641034322939e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60821028 0.33333334 0.05845638], NP=0.5284294702478683), CompositionSet(BCC_A2, [ 0.16668506 0.55952784 0.2737871 ], NP=0.47157052975213165)])
('step', array([ -6.53124066e-05, 1.41594297e-08, 6.52982471e-05,
2.91697575e-09, -1.20183126e-08, 9.10133687e-09,
3.64192965e-05, 1.55992554e-05, -5.20185519e-05,
0.00000000e+00, 1.85703245e-05, -1.85703245e-05]))
('conv_angle', 89.989985360564603)
('Site fractions', array([ 9.12315414e-01, 1.49686284e-08, 8.76845711e-02,
3.22676763e-09, 9.99999987e-01, 9.71808820e-09,
1.66685064e-01, 5.59527840e-01, 2.73787096e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.52842947, 0.47157053]))
('Chemical potentials', array([-41159.68937022, -38342.09163748, -43571.25177329]))
('Chem pot progress', array([ 0.71735619, 0.16566804, -1.50125912]))
('Energy progress', 0.02140169779158896)
('Driving force', 0.00019241595146013424)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60821028 0.33333334 0.05845638], NP=0.5284294702478683), CompositionSet(BCC_A2, [ 0.16668506 0.55952784 0.2737871 ], NP=0.47157052975213165)])
('reduced_hessian eigenvalues', array([ 4.28032421e+03, 1.45611969e+04, 4.94551483e+10,
8.41080079e+10, 2.75110269e+11]))
('NEW_L_MULTIPLIERS', array([ -4095.15163287, -12536.14382325, 4441.80092701, -12206.335371 ,
-41159.7239065 , -38342.08683702, -43571.24075453]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -2.28815661e-17, 5.55111512e-17,
0.00000000e+00, -1.48488177e-09, -2.89582303e-10,
1.77446410e-09]))
('penalty', 10000)
('old_driving_force', -40305.796124400731, 1.7744641034322939e-09)
('sublsum', -0.010131723975328239)
(1.0, -40305.804906588448, 1.0256240301487196e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60820972 0.33333344 0.05845684], NP=0.5284311669182972), CompositionSet(BCC_A2, [ 0.1666841 0.55952854 0.27378735], NP=0.47156883308170283)])
('step', array([ -8.45076573e-07, 2.18240658e-07, 6.26835916e-07,
2.28207066e-08, -1.39429594e-07, 1.16608887e-07,
-9.62631595e-07, 7.03486445e-07, 2.59145150e-07,
0.00000000e+00, 1.69667043e-06, -1.69667043e-06]))
('conv_angle', 85.156347375218743)
('Site fractions', array([ 9.12314569e-01, 2.33209286e-07, 8.76851979e-02,
2.60474743e-08, 9.99999848e-01, 1.26326976e-07,
1.66684102e-01, 5.59528544e-01, 2.73787355e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.52843117, 0.47156883]))
('Chemical potentials', array([-41159.7239065 , -38342.08683702, -43571.24075453]))
('Chem pot progress', array([-0.03453628, 0.00480046, 0.01101876]))
('Energy progress', -0.008741627549170516)
('Driving force', 0.0013850059040123597)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60820972 0.33333344 0.05845684], NP=0.5284311669182972), CompositionSet(BCC_A2, [ 0.1666841 0.55952854 0.27378735], NP=0.47156883308170283)])
('reduced_hessian eigenvalues', array([ 4.27766027e+03, 1.45553267e+04, 3.79060783e+09,
5.65551953e+09, 3.26511559e+10]))
('NEW_L_MULTIPLIERS', array([ -4095.15383559, -12536.50074286, 4441.6300243 , -12205.91928778,
-41160.0636219 , -38342.03850886, -43571.13269933]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 9.18020396e-17, -5.55111512e-17,
0.00000000e+00, 6.90281166e-13, -1.02562403e-12,
3.35315109e-13]))
('penalty', 10000)
('old_driving_force', -40305.804906588448, 1.0256240301487196e-12)
('sublsum', -0.098717895043350934)
(1.0, -40305.888529423704, 8.9730278762800708e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60820391 0.33333484 0.05846125], NP=0.5284482828990937), CompositionSet(BCC_A2, [ 0.16667458 0.55953519 0.27379023], NP=0.4715517171009063)])
('step', array([ -8.77524011e-06, 2.75986938e-06, 6.01537072e-06,
1.29821448e-07, -1.32166669e-06, 1.19184524e-06,
-9.51845144e-06, 6.64184706e-06, 2.87660438e-06,
0.00000000e+00, 1.71159808e-05, -1.71159808e-05]))
('conv_angle', 84.155080801210062)
('Site fractions', array([ 9.12305794e-01, 2.99307867e-06, 8.76912133e-02,
1.55868922e-07, 9.99998526e-01, 1.31817221e-06,
1.66674583e-01, 5.59535185e-01, 2.73790231e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.52844828, 0.47155172]))
('Chemical potentials', array([-41160.0636219 , -38342.03850886, -43571.13269933]))
('Chem pot progress', array([-0.3397154 , 0.04832816, 0.10805521]))
('Energy progress', -0.08362492169544566)
('Driving force', 0.015093330548552331)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60820391 0.33333484 0.05846125], NP=0.5284482828990937), CompositionSet(BCC_A2, [ 0.16667458 0.55953519 0.27379023], NP=0.4715517171009063)])
('reduced_hessian eigenvalues', array([ 4.27811785e+03, 1.45556017e+04, 3.35600249e+08,
4.89958749e+08, 5.31213966e+09]))
('NEW_L_MULTIPLIERS', array([ -4095.20306041, -12539.25352634, 4440.29337955, -12202.63589712,
-41162.61144549, -38341.68730607, -43570.29941466]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -8.51257524e-17, 0.00000000e+00,
0.00000000e+00, 6.35270725e-11, -8.97302788e-11,
2.62032618e-11]))
('penalty', 10000)
('old_driving_force', -40305.88852942353, 8.9730278762800708e-11)
('sublsum', -0.74636415025002523)
(1.0, -40306.505372539112, 4.3378834413410061e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60815483 0.33335008 0.05849508], NP=0.5285828686827004), CompositionSet(BCC_A2, [ 0.16660357 0.55958266 0.27381377], NP=0.47141713131729956)])
('step', array([ -7.38703837e-05, 2.77900165e-05, 4.60803672e-05,
4.98119535e-07, -9.84597642e-06, 9.34785689e-06,
-7.10143240e-05, 4.74760501e-05, 2.35382739e-05,
0.00000000e+00, 1.34585784e-04, -1.34585784e-04]))
('conv_angle', 82.735432053090705)
('Site fractions', array([ 9.12231923e-01, 3.07830951e-05, 8.77372937e-02,
6.53988457e-07, 9.99988680e-01, 1.06660291e-05,
1.66603569e-01, 5.59582661e-01, 2.73813770e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.52858287, 0.47141713]))
('Chemical potentials', array([-41162.61144549, -38341.68730607, -43570.29941466]))
('Chem pot progress', array([-2.5478236 , 0.35120279, 0.83328466]))
('Energy progress', -0.6169433362156269)
('Driving force', 0.12943991591600934)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60815483 0.33335008 0.05849508], NP=0.5285828686827004), CompositionSet(BCC_A2, [ 0.16660357 0.55958266 0.27381377], NP=0.47141713131729956)])
('reduced_hessian eigenvalues', array([ 4.27121428e+03, 1.45526193e+04, 3.48336825e+07,
5.76402013e+07, 1.24624414e+09]))
('NEW_L_MULTIPLIERS', array([ -4095.72826152, -12555.01091402, 4432.47290267, -12183.19319432,
-41176.60035755, -38339.86272164, -43565.51700856]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 2.43386447e-17, 0.00000000e+00,
0.00000000e+00, 2.95192942e-09, -4.33788344e-09,
1.38595405e-09]))
('penalty', 10000)
('old_driving_force', -40306.505372496533, 4.3378834413410061e-09)
('sublsum', -4.1568082453551467)
(1.0, -40309.830845924138, 9.2140095941939393e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6078372 0.33347483 0.05868796], NP=0.5293762780225485), CompositionSet(BCC_A2, [ 0.16621657 0.55982355 0.27395989], NP=0.4706237219774515)])
('step', array([ -4.77023272e-04, 2.14424918e-04, 2.62598354e-04,
1.15399871e-06, -5.45913307e-05, 5.34373319e-05,
-3.87002534e-04, 2.40884687e-04, 1.46117847e-04,
0.00000000e+00, 7.93409340e-04, -7.93409340e-04]))
('conv_angle', 80.720506745784775)
('Site fractions', array([ 9.11754900e-01, 2.45208013e-04, 8.79998920e-02,
1.80798717e-06, 9.99934089e-01, 6.41033610e-05,
1.66216566e-01, 5.59823546e-01, 2.73959888e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.52937628, 0.47062372]))
('Chemical potentials', array([-41176.60035755, -38339.86272164, -43565.51700856]))
('Chem pot progress', array([-13.98891205, 1.82458442, 4.7824061 ]))
('Energy progress', -3.3275638614650234)
('Driving force', 0.82977318480698159)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6078372 0.33347483 0.05868796], NP=0.5293762780225485), CompositionSet(BCC_A2, [ 0.16621657 0.55982355 0.27395989], NP=0.4706237219774515)])
('reduced_hessian eigenvalues', array([ 4.24945220e+03, 1.45383390e+04, 4.49937916e+06,
9.40696495e+06, 4.47405537e+08]))
('NEW_L_MULTIPLIERS', array([ -4099.20596128, -12617.84573895, 4400.16163927, -12101.404127 ,
-41228.81599304, -38333.71746863, -43546.40614397]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 2.20364092e-17, 0.00000000e+00,
0.00000000e+00, 5.50401429e-08, -9.21400959e-08,
3.70999530e-08]))
('penalty', 10000)
('old_driving_force', -40309.830843192976, 9.2140095941939393e-08)
('sublsum', -15.949167694556202)
(1.0, -40322.061860061644, 3.7494170010421435e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60633523 0.33421013 0.05945464], NP=0.5326905697476356), CompositionSet(BCC_A2, [ 0.16479589 0.56059068 0.27461344], NP=0.46730943025236443)])
('step', array([ -2.25364032e-03, 1.20769038e-03, 1.04594994e-03,
1.36396943e-06, -2.09497899e-04, 2.08133930e-04,
-1.42068103e-03, 7.67131852e-04, 6.53549180e-04,
0.00000000e+00, 3.31429173e-03, -3.31429173e-03]))
('conv_angle', 77.777709572403552)
('Site fractions', array([ 9.09501260e-01, 1.45289839e-03, 8.90458420e-02,
3.17195660e-06, 9.99724591e-01, 2.72237291e-04,
1.64795885e-01, 5.60590678e-01, 2.74613437e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.53269057, 0.46730943]))
('Chemical potentials', array([-41228.81599304, -38333.71746863, -43546.40614397]))
('Chem pot progress', array([-52.2156355 , 6.14525302, 19.11086459]))
('Energy progress', -12.23749461263651)
('Driving force', 3.7177075522704399)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60633523 0.33421013 0.05945464], NP=0.5326905697476356), CompositionSet(BCC_A2, [ 0.16479589 0.56059068 0.27461344], NP=0.46730943025236443)])
('reduced_hessian eigenvalues', array([ 4.18077414e+03, 1.44422268e+04, 7.68120534e+05,
2.20349493e+06, 2.55276718e+08]))
('NEW_L_MULTIPLIERS', array([ -4113.76151996, -12779.54343804, 4311.77511006, -11871.29935096,
-41347.55386512, -38322.9067128 , -43497.38359773]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 9.35666475e-17, 5.55111512e-17,
0.00000000e+00, -2.69422727e-07, -1.05518974e-07,
3.74941700e-07]))
('penalty', 10000)
('old_driving_force', -40322.061909292184, 3.7494170010421435e-07)
('sublsum', -38.547270821234129)
(1.0, -40349.676909441929, 1.6787521052163967e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60141862 0.33714853 0.06143286], NP=0.5419120542850615), CompositionSet(BCC_A2, [ 0.161688 0.5617086 0.27660341], NP=0.4580879457149386)])
('step', array([ -7.37524821e-03, 4.66257795e-03, 2.71267026e-03,
6.53168902e-07, -5.09963819e-04, 5.09310650e-04,
-3.10788653e-03, 1.11791813e-03, 1.98996840e-03,
0.00000000e+00, 9.22148454e-03, -9.22148454e-03]))
('conv_angle', 73.566023190067583)
('Site fractions', array([ 9.02126011e-01, 6.11547635e-03, 9.17585122e-02,
3.82512550e-06, 9.99214627e-01, 7.81547941e-04,
1.61687999e-01, 5.61708596e-01, 2.76603405e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.54191205, 0.45808795]))
('Chemical potentials', array([-41347.55386512, -38322.9067128 , -43497.38359773]))
('Chem pot progress', array([-118.73787208, 10.81075583, 49.02254624]))
('Energy progress', -27.891117224680784)
('Driving force', 10.669215452995559)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60141862 0.33714853 0.06143286], NP=0.5419120542850615), CompositionSet(BCC_A2, [ 0.161688 0.5617086 0.27660341], NP=0.4580879457149386)])
('reduced_hessian eigenvalues', array([ 4.03871087e+03, 1.41669167e+04, 1.82841265e+05,
7.73262434e+05, 2.14381885e+08]))
('NEW_L_MULTIPLIERS', array([ -4151.68492755, -13023.63425941, 4163.47273031, -11468.0944292 ,
-41480.25923435, -38321.27729111, -43423.97023581]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 2.77555756e-17, 0.00000000e+00,
0.00000000e+00, -1.66791562e-05, 1.67875211e-05,
-1.08364804e-07]))
('penalty', 10000)
('old_driving_force', -40349.679142254041, 1.6787521052163967e-05)
('sublsum', -50.964092906100369)
(1.0, -40381.58208950144, 0.00012774102059104342)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59118014 0.34438265 0.06443721], NP=0.5577963523474435), CompositionSet(BCC_A2, [ 0.15858864 0.56090075 0.28051061], NP=0.44220364765255654)])
('step', array([ -1.53578028e-02, 1.12167082e-02, 4.14109460e-03,
1.81294068e-07, -7.31055571e-04, 7.30874277e-04,
-3.09936150e-03, -8.07847974e-04, 3.90720948e-03,
0.00000000e+00, 1.58842981e-02, -1.58842981e-02]))
('conv_angle', 68.349578407466282)
('Site fractions', array([ 8.86768209e-01, 1.73321845e-02, 9.58996068e-02,
4.00641957e-06, 9.98483571e-01, 1.51242222e-03,
1.58588637e-01, 5.60900748e-01, 2.80510615e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.55779635, 0.44220365]))
('Chemical potentials', array([-41480.25923435, -38321.27729111, -43423.97023581]))
('Chem pot progress', array([-132.70536923, 1.62942169, 73.41336192]))
('Energy progress', -33.743852584004344)
('Driving force', 17.164029644620314)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59118014 0.34438265 0.06443721], NP=0.5577963523474435), CompositionSet(BCC_A2, [ 0.15858864 0.56090075 0.28051061], NP=0.44220364765255654)])
('reduced_hessian eigenvalues', array([ 3.80638924e+03, 1.36152764e+04, 6.46325038e+04,
4.07131224e+05, 2.09446172e+08]))
('NEW_L_MULTIPLIERS', array([ -4208.20236855, -13215.48984148, 4026.85127374, -11074.94616612,
-41508.19472626, -38342.9369701 , -43366.12569496]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 2.34187669e-17, 0.00000000e+00,
0.00000000e+00, -1.13399803e-04, 1.27741021e-04,
-1.43412176e-05]))
('penalty', 10000)
('old_driving_force', -40381.581660990072, 0.00012774102059104342)
('sublsum', -28.138224504564015)
(1.0, -40396.81146817335, 0.00020898467866586889)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57966068 0.35363323 0.0667061 ], NP=0.5729563014446597), CompositionSet(BCC_A2, [ 0.15854533 0.55636601 0.28508866], NP=0.4270436985553402)])
('step', array([ -1.72792736e-02, 1.41816882e-02, 3.09758534e-03,
1.49867524e-07, -6.11639157e-04, 6.11489290e-04,
-4.33044852e-05, -4.53473623e-03, 4.57804072e-03,
0.00000000e+00, 1.51599491e-02, -1.51599491e-02]))
('conv_angle', 63.983291033388966)
('Site fractions', array([ 8.69488935e-01, 3.15138728e-02, 9.89971922e-02,
4.15628709e-06, 9.97871932e-01, 2.12391151e-03,
1.58545333e-01, 5.56366012e-01, 2.85088655e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.5729563, 0.4270437]))
('Chemical potentials', array([-41508.19472626, -38342.9369701 , -43366.12569496]))
('Chem pot progress', array([-27.93549191, -21.65967899, 57.84454085]))
('Energy progress', -16.559128264147148)
('Driving force', 11.759106795070693)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57966068 0.35363323 0.0667061 ], NP=0.5729563014446597), CompositionSet(BCC_A2, [ 0.15854533 0.55636601 0.28508866], NP=0.4270436985553402)])
('reduced_hessian eigenvalues', array([ 3.56024416e+03, 1.29082174e+04, 3.60361895e+04,
2.95378181e+05, 2.06158794e+08]))
('NEW_L_MULTIPLIERS', array([ -4242.35368649, -13276.95878661, 3973.93812504, -10913.8512731 ,
-41474.35556708, -38362.71403177, -43346.99700391]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -8.97719399e-17, 0.00000000e+00,
0.00000000e+00, -1.73978021e-04, 2.08984679e-04,
-3.50066580e-05]))
('penalty', 10000)
('old_driving_force', -40396.800778168988, 0.00020898467866586889)
('sublsum', -3.7590994092284378)
(1.0, -40401.976861007875, 5.020904550651073e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57451777 0.35817755 0.06730468], NP=0.5790519045989887), CompositionSet(BCC_A2, [ 0.15984189 0.55267341 0.28748471], NP=0.42094809540101136)])
('step', array([ -7.71439159e-03, 6.94879071e-03, 7.65600884e-04,
7.44964132e-08, -2.64614770e-04, 2.64540274e-04,
1.29655263e-03, -3.69260598e-03, 2.39605336e-03,
0.00000000e+00, 6.09560315e-03, -6.09560315e-03]))
('conv_angle', 61.507415314780985)
('Site fractions', array([ 8.61774543e-01, 3.84626635e-02, 9.97627931e-02,
4.23078351e-06, 9.97607317e-01, 2.38845178e-03,
1.59841885e-01, 5.52673406e-01, 2.87484709e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.5790519, 0.4209481]))
('Chemical potentials', array([-41474.35556708, -38362.71403177, -43346.99700391]))
('Chem pot progress', array([ 33.83915918, -19.77706167, 19.12869105]))
('Energy progress', -2.539660015878326)
('Driving force', 1.8748795193532715)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57451777 0.35817755 0.06730468], NP=0.5790519045989887), CompositionSet(BCC_A2, [ 0.15984189 0.55267341 0.28748471], NP=0.42094809540101136)])
('reduced_hessian eigenvalues', array([ 3.45208956e+03, 1.25261255e+04, 2.99083338e+04,
2.64644671e+05, 2.04148304e+08]))
('NEW_L_MULTIPLIERS', array([ -4246.81475309, -13281.46137102, 3968.9979855 , -10898.07510222,
-41467.04351783, -38365.70931651, -43345.58491006]))
('L_CONSTRAINTS', array([ 5.55111512e-17, -3.90312782e-17, 0.00000000e+00,
0.00000000e+00, -3.92523654e-05, 5.02090455e-05,
-1.09566801e-05]))
('penalty', 10000)
('old_driving_force', -40401.976408130402, 5.020904550651073e-05)
('sublsum', -0.04096933902809842)
(1.0, -40402.988607078594, 6.2990456900502423e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57397542 0.35869249 0.06733209], NP=0.5796401850296337), CompositionSet(BCC_A2, [ 0.16010167 0.55211759 0.28778074], NP=0.42035981497036645)])
('step', array([ -8.13533424e-04, 7.88670533e-04, 2.48628908e-05,
8.52002352e-09, -3.25162834e-05, 3.25077633e-05,
2.59787525e-04, -5.55814011e-04, 2.96026487e-04,
0.00000000e+00, 5.88280431e-04, -5.88280431e-04]))
('conv_angle', 59.538799763226763)
('Site fractions', array([ 8.60961010e-01, 3.92513340e-02, 9.97876559e-02,
4.23930353e-06, 9.97574801e-01, 2.42095955e-03,
1.60101673e-01, 5.52117592e-01, 2.87780735e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.57964019, 0.42035981]))
('Chemical potentials', array([-41467.04351783, -38365.70931651, -43345.58491006]))
('Chem pot progress', array([ 7.31204925, -2.99528474, 1.41209385]))
('Energy progress', -0.19466334278695285)
('Driving force', 0.021886835500481538)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57397542 0.35869249 0.06733209], NP=0.5796401850296337), CompositionSet(BCC_A2, [ 0.16010167 0.55211759 0.28778074], NP=0.42035981497036645)])
('reduced_hessian eigenvalues', array([ 3.43996438e+03, 1.24804174e+04, 2.93639618e+04,
2.61281728e+05, 2.03888906e+08]))
('NEW_L_MULTIPLIERS', array([ -4246.8584701 , -13281.49417385, 3968.95727965, -10897.93526766,
-41466.95630195, -38365.74084526, -43345.57947883]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 2.34187669e-17, -5.55111512e-17,
0.00000000e+00, -4.71883442e-07, 6.29904569e-07,
-1.58021127e-07]))
('penalty', 10000)
('old_driving_force', -40402.988607016719, 6.2990456900502423e-07)
('sublsum', -4.0538297756148826e-06)
(1.0, -40403.001205985267, 5.7494953242809288e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57397016 0.35869759 0.06733225], NP=0.5796452795550718), CompositionSet(BCC_A2, [ 0.16010503 0.55211141 0.28778357], NP=0.42035472044492816)])
('step', array([ -7.88430026e-06, 7.83011596e-06, 5.41843036e-08,
7.10277728e-11, -3.61644198e-07, 3.61573171e-07,
3.35446962e-06, -6.18609925e-06, 2.83162963e-06,
0.00000000e+00, 5.09452544e-06, -5.09452544e-06]))
('conv_angle', 58.307969180655746)
('Site fractions', array([ 8.60953126e-01, 3.92591641e-02, 9.97877101e-02,
4.23937456e-06, 9.97574440e-01, 2.42132112e-03,
1.60105027e-01, 5.52111406e-01, 2.87783567e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.57964528, 0.42035472]))
('Chemical potentials', array([-41466.95630195, -38365.74084526, -43345.57947883]))
('Chem pot progress', array([ 0.08721588, -0.03152875, 0.00543123]))
('Energy progress', -0.0022521550999954343)
('Driving force', 2.1737796487286687e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57397016 0.35869759 0.06733225], NP=0.5796452795550718), CompositionSet(BCC_A2, [ 0.16010503 0.55211141 0.28778357], NP=0.42035472044492816)])
('reduced_hessian eigenvalues', array([ 3.43895052e+03, 1.24757469e+04, 2.93578259e+04,
2.61244503e+05, 2.03886765e+08]))
('NEW_L_MULTIPLIERS', array([ -4246.85846083, -13281.49418065, 3968.95728812, -10897.93526114,
-41466.95629051, -38365.74085482, -43345.57946758]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -6.28837260e-17, 0.00000000e+00,
0.00000000e+00, -4.38671321e-11, 5.74949532e-11,
-1.36277378e-11]))
('penalty', 10000)
('old_driving_force', -40403.001205985267, 5.7494953242809288e-11)
('sublsum', -9.5355361342210517e-14)
(1.0, -40403.001207135181, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57397016 0.35869759 0.06733225], NP=0.5796452795166339), CompositionSet(BCC_A2, [ 0.16010503 0.5521114 0.28778357], NP=0.420354720483366)])
('step', array([ -1.44165431e-09, 8.96689813e-10, 5.44964493e-10,
-1.22294684e-13, -4.81081374e-11, 4.82304950e-11,
1.46756439e-09, -9.56673238e-10, -5.10891151e-10,
0.00000000e+00, -3.84378830e-11, 3.84377876e-11]))
('conv_angle', 61.569529515402408)
('Site fractions', array([ 8.60953124e-01, 3.92591650e-02, 9.97877107e-02,
4.23937443e-06, 9.97574439e-01, 2.42132117e-03,
1.60105029e-01, 5.52111405e-01, 2.87783566e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.57964528, 0.42035472]))
('Chemical potentials', array([-41466.95629051, -38365.74085482, -43345.57946758]))
('Chem pot progress', array([ 1.14454961e-05, -9.55447467e-06, 1.12471753e-05]))
('Energy progress', -2.039087121374905e-07)
('Driving force', -1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.16010503 0.5521114 0.28778357], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.16010503 0.55211141 0.28778356], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16010502 0.55211147 0.28778351], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.16010503 0.55211141 0.28778357], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16010503 0.5521114 0.28778357], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.160105 0.5521115 0.2877835], NP=1.0), -5.820766091346741e-11), (CompositionSet(BCC_A2, [ 0.16010503 0.55211141 0.28778357], NP=1.0), 0.0)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57397017 0.35869759 0.06733225], NP=1.0), 7.275957614183426e-12), (CompositionSet(LAVES_C15, [ 0.57397016 0.35869759 0.06733225], NP=1.0), 3.637978807091713e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.4977119952452847), CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=0.5022880047547154)])
('reduced_hessian eigenvalues', array([ 3.55707820e+03, 1.20679843e+04, 2.50578446e+14,
7.80958757e+14, 8.33847267e+14]))
('NEW_L_MULTIPLIERS', array([ -3899.03174383, -11848.54946848, 4802.34835982, -12919.49159381,
-41082.06632253, -38535.73774872, -43464.50522117]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 5.55111512e-17,
0.00000000e+00, 1.12847282e-02, 2.20694745e-03,
-1.34916756e-02]))
('penalty', 10000)
('old_driving_force', -40026.304783109634, 0.013491675633514638)
('sublsum', -67.283947394122819)
(1.0, -40326.043544429587, 0.00016448142613956218)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60986642 0.33333333 0.05680024], NP=0.5003599702441205), CompositionSet(BCC_A2, [ 0.17012874 0.54683759 0.28303367], NP=0.4996400297558795)])
('step', array([ 2.59107468e-02, 3.50315380e-11, -2.59107468e-02,
2.19914148e-11, -5.27534314e-11, 3.07622088e-11,
-4.15910051e-02, -3.25109237e-03, 4.48420975e-02,
0.00000000e+00, 2.64797500e-03, -2.64797500e-03]))
('conv_angle', 89.185612852513316)
('Site fractions', array([ 9.14799636e-01, 3.60315380e-11, 8.52003643e-02,
2.29914148e-11, 1.00000000e+00, 3.17622088e-11,
1.70128736e-01, 5.46837595e-01, 2.83033669e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.50035997, 0.49964003]))
('Chemical potentials', array([-41082.06632253, -38535.73774872, -43464.50522117]))
('Chem pot progress', array([ 66.09111536, -144.82476182, -211.08721598]))
('Energy progress', -36.055209243575518)
('Driving force', 37.363189871117356)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60986642 0.33333333 0.05680024], NP=0.5003599702441205), CompositionSet(BCC_A2, [ 0.17012874 0.54683759 0.28303367], NP=0.4996400297558795)])
('reduced_hessian eigenvalues', array([ 4.15142526e+03, 1.44539672e+04, 1.29588106e+13,
3.34030459e+13, 4.34692099e+13]))
('NEW_L_MULTIPLIERS', array([ -3915.13328738, -11945.05549241, 4688.10835711, -12830.7247175 ,
-41138.75037675, -38398.72568204, -43470.19945176]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -5.07366679e-17, 0.00000000e+00,
0.00000000e+00, 1.55872615e-04, 8.60881132e-06,
-1.64481426e-04]))
('penalty', 10000)
('old_driving_force', -40326.036825044037, 0.00016448142613956218)
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1.00000000e+00]))
('Phase fractions', array([ 0.54743043, 0.45256957]))
('Chemical potentials', array([-41484.00769302, -38398.80963604, -43273.27187756]))
('Chem pot progress', array([-28.4564546 , -20.1143707 , 52.72499757]))
('Energy progress', -15.801008116315643)
('Driving force', 11.180188052268932)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57933749 0.35334903 0.06731349], NP=0.5474304307139163), CompositionSet(BCC_A2, [ 0.16061492 0.54524455 0.29414053], NP=0.4525695692860837)])
('reduced_hessian eigenvalues', array([ 3.50486506e+03, 1.27052740e+04, 3.75813920e+04,
2.79148992e+05, 1.94300920e+08]))
('NEW_L_MULTIPLIERS', array([ -4063.26976872, -12671.48338534, 4233.20349193, -11582.88507866,
-41450.83646971, -38417.18165382, -43257.88500107]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 1.04083409e-17, -5.55111512e-17,
0.00000000e+00, -1.63606090e-04, 1.95101575e-04,
-3.14954846e-05]))
('penalty', 10000)
('old_driving_force', -40415.603743722844, 0.00019510157506802406)
('sublsum', -3.6129732129309899)
(1.0, -40420.521249966951, 4.5446620036415641e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57424067 0.35787204 0.06788729], NP=0.5530946403618597), CompositionSet(BCC_A2, [ 0.16190096 0.54174409 0.29635494], NP=0.44690535963814026)])
('step', array([ -7.64525670e-03, 6.91919774e-03, 7.26058951e-04,
7.28440215e-08, -2.69354827e-04, 2.69281983e-04,
1.28604429e-03, -3.50045713e-03, 2.21441283e-03,
0.00000000e+00, 5.66420965e-03, -5.66420965e-03]))
('conv_angle', 60.437204710020737)
('Site fractions', array([ 8.61358848e-01, 3.80292776e-02, 1.00611874e-01,
4.31835434e-06, 9.97557571e-01, 2.43811078e-03,
1.61900964e-01, 5.41744092e-01, 2.96354944e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.55309464, 0.44690536]))
('Chemical potentials', array([-41450.83646971, -38417.18165382, -43257.88500107]))
('Chem pot progress', array([ 33.17122331, -18.37201779, 15.38687649]))
('Energy progress', -2.418529991824471)
('Driving force', 1.7964186829558457)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57424067 0.35787204 0.06788729], NP=0.5530946403618597), CompositionSet(BCC_A2, [ 0.16190096 0.54174409 0.29635494], NP=0.44690535963814026)])
('reduced_hessian eigenvalues', array([ 3.40180934e+03, 1.23425153e+04, 3.12462136e+04,
2.50195872e+05, 1.92546505e+08]))
('NEW_L_MULTIPLIERS', array([ -4067.29506139, -12675.25687693, 4228.71603915, -11568.43837321,
-41443.58290143, -38419.96852007, -43256.98926038]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -7.67615138e-17, 1.66533454e-16,
0.00000000e+00, -3.61538448e-05, 4.54466200e-05,
-9.29277525e-06]))
('penalty', 10000)
('old_driving_force', -40420.520852745001, 4.5446620036415641e-05)
('sublsum', -0.040453006203830855)
(1.0, -40421.438913883831, 5.6171987383724087e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57369633 0.35839244 0.06791123], NP=0.5536321862161403), CompositionSet(BCC_A2, [ 0.16215957 0.54121952 0.29662091], NP=0.4463678137838598)])
('step', array([ -8.16516249e-04, 7.97087746e-04, 1.94285021e-05,
8.20005211e-09, -3.29868447e-05, 3.29786447e-05,
2.58611069e-04, -5.24574868e-04, 2.65963798e-04,
0.00000000e+00, 5.37545854e-04, -5.37545854e-04]))
('conv_angle', 57.991209048478069)
('Site fractions', array([ 8.60542332e-01, 3.88263653e-02, 1.00631303e-01,
4.32655439e-06, 9.97524584e-01, 2.47108943e-03,
1.62159575e-01, 5.41219517e-01, 2.96620908e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.55363219, 0.44636781]))
('Chemical potentials', array([-41443.58290143, -38419.96852007, -43256.98926038]))
('Chem pot progress', array([ 7.25356828, -2.78686624, 0.89574069]))
('Energy progress', -0.17269342589133885)
('Driving force', 0.021506372322619427)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57369633 0.35839244 0.06791123], NP=0.5536321862161403), CompositionSet(BCC_A2, [ 0.16215957 0.54121952 0.29662091], NP=0.4463678137838598)])
('reduced_hessian eigenvalues', array([ 3.39022529e+03, 1.22978023e+04, 3.06767679e+04,
2.47029433e+05, 1.92321229e+08]))
('NEW_L_MULTIPLIERS', array([ -4067.33311437, -12675.27924797, 4228.67771667, -11568.30764642,
-41443.49457199, -38419.99751148, -43256.99037998]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -7.50267903e-17, 0.00000000e+00,
0.00000000e+00, -4.31623788e-07, 5.61719874e-07,
-1.30096085e-07]))
('penalty', 10000)
('old_driving_force', -40421.438913829566, 5.6171987383724087e-07)
('sublsum', -4.350611048486411e-06)
(1.0, -40421.450149318152, 5.4232229818040878e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57369083 0.35839781 0.06791136], NP=0.5536369663685189), CompositionSet(BCC_A2, [ 0.16216296 0.54121355 0.29662349], NP=0.44636303363148117)])
('step', array([ -8.25563629e-06, 8.26053245e-06, -4.89615661e-09,
1.02666766e-10, -3.91885580e-07, 3.91782913e-07,
3.38611725e-06, -5.96889552e-06, 2.58277828e-06,
0.00000000e+00, 4.78015238e-06, -4.78015238e-06]))
('conv_angle', 56.68178151523739)
('Site fractions', array([ 8.60534076e-01, 3.88346259e-02, 1.00631298e-01,
4.32665706e-06, 9.97524192e-01, 2.47148121e-03,
1.62162961e-01, 5.41213548e-01, 2.96623491e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.55363697, 0.44636303]))
('Chemical potentials', array([-41443.49457199, -38419.99751148, -43256.99037998]))
('Chem pot progress', array([ 0.08832944, -0.02899141, -0.0011196 ]))
('Energy progress', -0.0019362775856279768)
('Driving force', 2.3209504433907568e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57369083 0.35839781 0.06791136], NP=0.5536369663685189), CompositionSet(BCC_A2, [ 0.16216296 0.54121355 0.29662349], NP=0.44636303363148117)])
('reduced_hessian eigenvalues', array([ 3.38971465e+03, 1.22961096e+04, 3.06679448e+04,
2.46995094e+05, 1.92317875e+08]))
('NEW_L_MULTIPLIERS', array([ -4067.33311052, -12675.27927008, 4228.67772257, -11568.30762837,
-41443.49457725, -38419.99748073, -43256.99043384]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 3.16587034e-17, 0.00000000e+00,
0.00000000e+00, -4.24948410e-11, 5.42322298e-11,
-1.17374166e-11]))
('penalty', 10000)
('old_driving_force', -40421.450149318152, 5.4232229818040878e-11)
('sublsum', -2.6069664391771271e-13)
(1.0, -40421.450150402801, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57369083 0.35839782 0.06791136], NP=0.5536369664868024), CompositionSet(BCC_A2, [ 0.16216296 0.54121355 0.29662349], NP=0.44636303351319767)])
('step', array([ -1.99601736e-09, 1.87027571e-09, 1.25741666e-10,
-1.03142801e-13, 4.52895545e-11, -4.51864434e-11,
1.63667132e-09, -1.63828231e-09, 1.61099028e-12,
0.00000000e+00, 1.18283507e-10, -1.18283478e-10]))
('conv_angle', 54.717674113369576)
('Site fractions', array([ 8.60534074e-01, 3.88346277e-02, 1.00631298e-01,
4.32665695e-06, 9.97524192e-01, 2.47148116e-03,
1.62162963e-01, 5.41213547e-01, 2.96623491e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.55363697, 0.44636303]))
('Chemical potentials', array([-41443.49457725, -38419.99748073, -43256.99043384]))
('Chem pot progress', array([ -5.26098302e-06, 3.07483933e-05, -5.38621025e-05]))
('Energy progress', -1.852604327723384e-07)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.16216296 0.54121355 0.29662349], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16216297 0.54121353 0.2966235 ], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16216297 0.54121353 0.2966235 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.16216296 0.54121355 0.29662349], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.16216296 0.54121355 0.29662349], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.16216297 0.54121346 0.29662357], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.16216296 0.54121355 0.29662349], NP=1.0), 7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57369083 0.35839781 0.06791136], NP=1.0), 0.0), (CompositionSet(LAVES_C15, [ 0.57369083 0.35839781 0.06791136], NP=1.0), -2.9103830456733704e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.46927664787680384), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.5307233521231962)])
('reduced_hessian eigenvalues', array([ 4.07696595e+03, 1.55877840e+04, 2.45416012e+14,
7.41853162e+14, 8.53543217e+14]))
('NEW_L_MULTIPLIERS', array([ -3974.9118551 , -11896.53865086, 4872.80934567, -12563.00929478,
-41169.6967829 , -38742.88974495, -41431.15675487]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -2.62245297e-02, 9.40288470e-02,
-6.78043173e-02]))
('penalty', 10000)
('old_driving_force', -38013.770112551189, 0.094028847026681961)
('sublsum', -571.71085673380196)
(1.0, -40129.983231213453, 0.0058640056567394461)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59084673 0.33333333 0.07581993], NP=0.5090554352418943), CompositionSet(BCC_A2, [ 0.18009217 0.58291482 0.23699301], NP=0.4909445647581058)])
('step', array([ -2.61879004e-03, 3.78548928e-11, 2.61879000e-03,
2.42253483e-11, -5.80550920e-11, 3.38299701e-11,
1.86415681e-02, -1.47415395e-01, 1.28773827e-01,
0.00000000e+00, 3.97787874e-02, -3.97787874e-02]))
('conv_angle', 87.412245082865638)
('Site fractions', array([ 8.86270099e-01, 3.88548928e-11, 1.13729901e-01,
2.52253483e-11, 1.00000000e+00, 3.48299701e-11,
1.80092170e-01, 5.82914816e-01, 2.36993014e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.50905544, 0.49094456]))
('Chemical potentials', array([-41169.6967829 , -38742.88974495, -41431.15675487]))
('Chem pot progress', array([ 222.84178714, -1145.30180947, 3437.1749245 ]))
('Energy progress', 9.2263099034025799)
('Driving force', -127.79613301032805)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59084673 0.33333333 0.07581993], NP=0.5090554352418943), CompositionSet(BCC_A2, [ 0.18009217 0.58291482 0.23699301], NP=0.4909445647581058)])
('reduced_hessian eigenvalues', array([ 3.28406393e+03, 1.28528442e+04, 1.19855661e+13,
3.13501381e+13, 4.00604841e+13]))
('NEW_L_MULTIPLIERS', array([ -3842.52918204, -11737.14530728, 4816.15868606, -13108.65248243,
-41048.84986967, -38411.07084555, -43829.38519689]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 5.33467407e-17, -5.55111512e-17,
0.00000000e+00, -8.10987168e-04, 5.86400566e-03,
-5.05301849e-03]))
('penalty', 10000)
('old_driving_force', -40143.949306478433, 0.0058640056567394461)
('sublsum', -35.510824084830574)
(1.0, -40258.841578172411, 0.00084418303495334412)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61436708 0.33333333 0.05229959], NP=0.49311803415802274), CompositionSet(BCC_A2, [ 0.17069027 0.56286839 0.26644134], NP=0.5068819658419772)])
('step', array([ 3.52805172e-02, 7.71296270e-10, -3.52805180e-02,
2.88964040e-10, -8.80524162e-10, 5.91560063e-10,
-9.40190069e-03, -2.00464302e-02, 2.94483309e-02,
0.00000000e+00, -1.59374011e-02, 1.59374011e-02]))
('conv_angle', 89.463245645963326)
('Site fractions', array([ 9.21550616e-01, 8.10151163e-10, 7.84493831e-02,
3.14189388e-10, 9.99999999e-01, 6.26390033e-10,
1.70690270e-01, 5.62868386e-01, 2.66441345e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.49311803, 0.50688197]))
('Chemical potentials', array([-41048.84986967, -38411.07084555, -43829.38519689]))
('Chem pot progress', array([ 120.84691323, 331.8188994 , -2398.22844202]))
('Energy progress', -47.20388629613444)
('Driving force', 31.009722299218993)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61436708 0.33333333 0.05229959], NP=0.49311803415802274), CompositionSet(BCC_A2, [ 0.17069027 0.56286839 0.26644134], NP=0.5068819658419772)])
('reduced_hessian eigenvalues', array([ 4.26502958e+03, 1.53246110e+04, 7.15691322e+11,
1.49516179e+12, 2.84380277e+12]))
('NEW_L_MULTIPLIERS', array([ -3923.25500391, -12049.90407543, 4622.33985318, -12762.02688443,
-41180.679683 , -38287.83553348, -43669.12710994]))
('L_CONSTRAINTS', array([ 5.55111512e-17, -1.28799224e-16, 1.11022302e-16,
0.00000000e+00, -5.24695033e-04, -3.19488002e-04,
8.44183035e-04]))
('penalty', 10000)
('old_driving_force', -40259.006663575186, 0.00084418303495334412)
('sublsum', -2.6767705963549151)
(1.0, -40275.242733213359, 9.9775271967195156e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60900004 0.33333334 0.05766662], NP=0.507282044107033), CompositionSet(BCC_A2, [ 0.16454887 0.56991267 0.26553846], NP=0.492717955892967)])
('step', array([ -8.05055977e-03, 1.45880658e-08, 8.05054519e-03,
3.03056452e-09, -1.25109746e-08, 9.48041026e-09,
-6.14139830e-03, 7.04428696e-03, -9.02888661e-04,
0.00000000e+00, 1.41640099e-02, -1.41640099e-02]))
('conv_angle', 89.866908052415923)
('Site fractions', array([ 9.13500056e-01, 1.53982169e-08, 8.64999283e-02,
3.34475390e-09, 9.99999987e-01, 1.01068003e-08,
1.64548871e-01, 5.69912673e-01, 2.65538456e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.50728204, 0.49271796]))
('Chemical potentials', array([-41180.679683 , -38287.83553348, -43669.12710994]))
('Chem pot progress', array([-131.82981333, 123.23531208, 160.25808695]))
('Energy progress', 1.167393269162858)
('Driving force', -0.1868346267438028)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60900004 0.33333334 0.05766662], NP=0.507282044107033), CompositionSet(BCC_A2, [ 0.16454887 0.56991267 0.26553846], NP=0.492717955892967)])
('reduced_hessian eigenvalues', array([ 4.33528339e+03, 1.46678745e+04, 4.73176125e+10,
8.06202166e+10, 2.56163212e+11]))
('NEW_L_MULTIPLIERS', array([ -3922.70537126, -12047.86249363, 4623.80495402, -12760.74555697,
-41180.04278157, -38287.0647676 , -43674.08745702]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 8.84024133e-18, -1.11022302e-16,
0.00000000e+00, 1.09680352e-05, -9.97752720e-05,
8.88072368e-05]))
('penalty', 10000)
('old_driving_force', -40275.242222780827, 9.9775271967195156e-05)
('sublsum', -0.012639919860150678)
(1.0, -40277.247394690778, 1.3904966900124549e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60886489 0.33333344 0.05780167], NP=0.507252262162984), CompositionSet(BCC_A2, [ 0.16469262 0.57010077 0.26520661], NP=0.49274773783701603)])
('step', array([ -2.02736291e-04, 2.24193970e-07, 2.02512097e-04,
2.34620959e-08, -1.44059572e-07, 1.20597476e-07,
1.43748778e-04, 1.88095478e-04, -3.31844256e-04,
0.00000000e+00, -2.97819440e-05, 2.97819440e-05]))
('conv_angle', 89.963403607865644)
('Site fractions', array([ 9.13297320e-01, 2.39592187e-07, 8.67024404e-02,
2.68068498e-08, 9.99999842e-01, 1.30704276e-07,
1.64692620e-01, 5.70100768e-01, 2.65206612e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.50725226, 0.49274774]))
('Chemical potentials', array([-41180.04278157, -38287.0647676 , -43674.08745702]))
('Chem pot progress', array([ 0.63690143, 0.77076588, -4.96034708]))
('Energy progress', 0.5002431911852909)
('Driving force', 0.0021505651602637954)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60886489 0.33333344 0.05780167], NP=0.507252262162984), CompositionSet(BCC_A2, [ 0.16469262 0.57010077 0.26520661], NP=0.49274773783701603)])
('reduced_hessian eigenvalues', array([ 4.33019642e+03, 1.46461907e+04, 3.68671473e+09,
5.36705794e+09, 3.06218665e+10]))
('NEW_L_MULTIPLIERS', array([ -3922.71216146, -12048.2263704 , 4623.63050842, -12760.32369765,
-41180.3872495 , -38287.01303776, -43673.98616176]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -1.87865820e-17, 1.11022302e-16,
0.00000000e+00, 8.30613917e-09, 5.59882785e-09,
-1.39049669e-08]))
('penalty', 10000)
('old_driving_force', -40277.247394686798, 1.3904966900124549e-08)
('sublsum', -0.097007310265152413)
(1.0, -40277.329828794951, 9.3707319681612944e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6088589 0.33333488 0.05780622], NP=0.5072695966502861), CompositionSet(BCC_A2, [ 0.16468314 0.57010761 0.26520925], NP=0.49273040334971385)])
('step', array([ -9.04686043e-06, 2.83111372e-06, 6.21574671e-06,
1.32263245e-07, -1.35744163e-06, 1.22517838e-06,
-9.47910597e-06, 6.84076327e-06, 2.63834270e-06,
0.00000000e+00, 1.73344873e-05, -1.73344873e-05]))
('conv_angle', 84.08252197835094)
('Site fractions', array([ 9.13288273e-01, 3.07070591e-06, 8.67086561e-02,
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2.59912047e+05, 2.02437462e+08]))
('NEW_L_MULTIPLIERS', array([ -4070.97708807, -12784.40435172, 4161.93369604, -11480.11709059,
-41493.79060763, -38302.20327648, -43456.00793342]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 8.71698547e-17, -5.55111512e-17,
0.00000000e+00, -3.93567401e-11, 5.12440645e-11,
-1.18872967e-11]))
('penalty', 10000)
('old_driving_force', -40371.531079717897, 5.1244064547262269e-11)
('sublsum', -1.1846472690409252e-14)
(1.0, -40371.531080742789, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57435927 0.35904739 0.06659335], NP=0.5574003383624867), CompositionSet(BCC_A2, [ 0.15782197 0.56454373 0.2776343 ], NP=0.4425996616375133)])
('step', array([ 3.98390935e-11, 1.31368987e-10, -1.71208080e-10,
6.30706681e-14, -8.88333608e-11, 8.87702030e-11,
5.25922808e-10, -4.20890181e-10, -1.05032572e-10,
0.00000000e+00, -4.99913088e-10, 4.99913052e-10]))
('conv_angle', 81.117820918191654)
('Site fractions', array([ 8.61536831e-01, 3.97534323e-02, 9.87097371e-02,
4.13555531e-06, 9.97635303e-01, 2.36056135e-03,
1.57821971e-01, 5.64543730e-01, 2.77634299e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.55740034, 0.44259966]))
('Chemical potentials', array([-41493.79060763, -38302.20327648, -43456.00793342]))
('Chem pot progress', array([ 1.78274131e-05, -2.55390114e-05, 4.10817302e-05]))
('Energy progress', -1.868829713203013e-07)
('Driving force', -1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.15782196 0.56454374 0.27763429], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.15782197 0.56454373 0.2776343 ], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.15782197 0.56454373 0.2776343 ], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.15782197 0.56454373 0.2776343 ], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.15782197 0.56454369 0.27763434], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.15782197 0.56454373 0.2776343 ], NP=1.0), -1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57435927 0.35904738 0.06659334], NP=1.0), -7.275957614183426e-12), (CompositionSet(LAVES_C15, [ 0.57435927 0.35904739 0.06659334], NP=1.0), -2.1827872842550278e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.4566613348409779), CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=0.5433386651590223)])
('reduced_hessian eigenvalues', array([ 3.52638259e+03, 1.15151799e+04, 2.36792651e+14,
7.27787441e+14, 8.12630835e+14]))
('NEW_L_MULTIPLIERS', array([ -3738.29701387, -11407.40114854, 4963.6276561 , -13427.51878639,
-41110.86334123, -38469.64980663, -43557.44241424]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 5.55111512e-17,
0.00000000e+00, 5.64964612e-03, 1.10489787e-03,
-6.75454398e-03]))
('penalty', 10000)
('old_driving_force', -40132.378100271933, 0.0067545439832017717)
('sublsum', -68.589461344737785)
(1.0, -40271.273564855554, 0.0015114977805218976)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61120662 0.33333333 0.05546005], NP=0.48111883550374596), CompositionSet(BCC_A2, [ 0.16853277 0.55781204 0.27365519], NP=0.5188811644962541)])
('step', array([ 2.79210358e-02, 3.67318276e-11, -2.79210358e-02,
2.30133562e-11, -5.52146283e-11, 3.22014598e-11,
-4.31869672e-02, 7.72335305e-03, 3.54636142e-02,
0.00000000e+00, 2.44575007e-02, -2.44575007e-02]))
('conv_angle', 89.154224395142435)
('Site fractions', array([ 9.16809925e-01, 3.77318276e-11, 8.31900753e-02,
2.40133562e-11, 1.00000000e+00, 3.32014598e-11,
1.68532774e-01, 5.57812040e-01, 2.73655186e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.48111884, 0.51888116]))
('Chemical potentials', array([-41110.86334123, -38469.64980663, -43557.44241424]))
('Chem pot progress', array([ 37.29409666, -78.73681972, -304.02440904]))
('Energy progress', -33.474843288080592)
('Driving force', 36.732172603595245)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61120662 0.33333333 0.05546005], NP=0.48111883550374596), CompositionSet(BCC_A2, [ 0.16853277 0.55781204 0.27365519], NP=0.5188811644962541)])
('reduced_hessian eigenvalues', array([ 4.21221732e+03, 1.45800091e+04, 1.21428520e+13,
3.16670240e+13, 4.02113164e+13]))
('NEW_L_MULTIPLIERS', array([ -3743.34632869, -11458.77950255, 4870.1693394 , -13381.46781947,
-41159.50216879, -38344.85750568, -43565.12729868]))
('L_CONSTRAINTS', array([ 6.93889390e-17, 1.82185903e-17, 0.00000000e+00,
0.00000000e+00, 1.51149778e-03, -1.88893912e-04,
-1.32260387e-03]))
('penalty', 10000)
('old_driving_force', -40271.186638927589, 0.0015114977805218976)
('sublsum', -0.62799127406724065)
(1.0, -40301.643150498508, 4.5498039954738889e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60823181 0.33333333 0.05843485], NP=0.4830301844917293), CompositionSet(BCC_A2, [ 0.16674746 0.55900297 0.27424957], NP=0.5169698155082707)])
('step', array([ -4.46220570e-03, 7.78759349e-10, 4.46220492e-03,
2.88484243e-10, -8.77616071e-10, 5.89131810e-10,
-1.78531801e-03, 1.19092963e-03, 5.94388378e-04,
0.00000000e+00, 1.91134899e-03, -1.91134899e-03]))
('conv_angle', 89.907451429153809)
('Site fractions', array([ 9.12347719e-01, 8.16491177e-10, 8.76522802e-02,
3.12497600e-10, 9.99999999e-01, 6.22333270e-10,
1.66747456e-01, 5.59002970e-01, 2.74249574e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.48303018, 0.51696982]))
('Chemical potentials', array([-41159.50216879, -38344.85750568, -43565.12729868]))
('Chem pot progress', array([ -48.63882757, 124.79230095, -7.68488444]))
('Energy progress', -2.9849239483082783)
('Driving force', 0.13419589463592274)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60823181 0.33333333 0.05843485], NP=0.4830301844917293), CompositionSet(BCC_A2, [ 0.16674746 0.55900297 0.27424957], NP=0.5169698155082707)])
('reduced_hessian eigenvalues', array([ 4.23679907e+03, 1.41407029e+04, 7.11835186e+11,
1.47413609e+12, 2.80861200e+12]))
('NEW_L_MULTIPLIERS', array([ -3743.86259754, -11458.93937158, 4870.11328762, -13380.68945246,
-41158.70642195, -38344.72234823, -43566.48018426]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -2.62336987e-17, -5.55111512e-17,
0.00000000e+00, -2.27352229e-06, -2.27628171e-06,
4.54980400e-06]))
('penalty', 10000)
('old_driving_force', -40301.643142226341, 4.5498039954738889e-06)
('sublsum', -0.0009856256059095226)
(1.0, -40301.734880916229, 2.0731909244897651e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60818004 0.33333334 0.05848662], NP=0.48305085327911584), CompositionSet(BCC_A2, [ 0.16678258 0.55901639 0.27420103], NP=0.5169491467208841)])
('step', array([ -7.76582206e-05, 1.42794624e-08, 7.76439412e-05,
2.94007172e-09, -1.21190262e-08, 9.17895449e-09,
3.51192890e-05, 1.34204208e-05, -4.85397098e-05,
0.00000000e+00, 2.06687874e-05, -2.06687874e-05]))
('conv_angle', 89.990433712893065)
('Site fractions', array([ 9.12270061e-01, 1.50959536e-08, 8.77299241e-02,
3.25256932e-09, 9.99999987e-01, 9.80128776e-09,
1.66782576e-01, 5.59016390e-01, 2.74201034e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.48305085, 0.51694915]))
('Chemical potentials', array([-41158.70642195, -38344.72234823, -43566.48018426]))
('Chem pot progress', array([ 0.79574685, 0.13515745, -1.35288558]))
('Energy progress', 0.016570473344472703)
('Driving force', 0.00020598756236722693)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60818004 0.33333334 0.05848662], NP=0.48305085327911584), CompositionSet(BCC_A2, [ 0.16678258 0.55901639 0.27420103], NP=0.5169491467208841)])
('reduced_hessian eigenvalues', array([ 4.23504540e+03, 1.41330786e+04, 4.77657912e+10,
8.06300945e+10, 2.52508644e+11]))
('NEW_L_MULTIPLIERS', array([ -3743.86436115, -11458.97736068, 4870.09549924, -13380.64637731,
-41158.74120145, -38344.71725606, -43566.46958541]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -2.61841475e-17, 0.00000000e+00,
0.00000000e+00, -1.79592036e-09, -2.77270595e-10,
2.07319092e-09]))
('penalty', 10000)
('old_driving_force', -40301.734880916316, 2.0731909244897651e-09)
('sublsum', -0.0093289132962658811)
(1.0, -40301.742975572699, 1.0343947920432583e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60817948 0.33333344 0.05848708], NP=0.48305262873630994), CompositionSet(BCC_A2, [ 0.16678159 0.55901707 0.27420134], NP=0.51694737126369)])
('step', array([ -8.57077185e-07, 2.19962683e-07, 6.37114502e-07,
2.29805593e-08, -1.40516592e-07, 1.17536032e-07,
-9.85742483e-07, 6.82384295e-07, 3.03358187e-07,
0.00000000e+00, 1.77545719e-06, -1.77545719e-06]))
('conv_angle', 85.289166936989034)
('Site fractions', array([ 9.12269204e-01, 2.35058636e-07, 8.77305612e-02,
2.62331286e-08, 9.99999846e-01, 1.27337320e-07,
1.66781590e-01, 5.59017072e-01, 2.74201338e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.48305263, 0.51694737]))
('Chemical potentials', array([-41158.74120145, -38344.71725606, -43566.46958541]))
('Chem pot progress', array([-0.0347795 , 0.00509218, 0.01059884]))
('Energy progress', -0.00804744492052123)
('Driving force', 0.0012757010626955889)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60817948 0.33333344 0.05848708], NP=0.48305262873630994), CompositionSet(BCC_A2, [ 0.16678159 0.55901707 0.27420134], NP=0.51694737126369)])
('reduced_hessian eigenvalues', array([ 4.23495315e+03, 1.41335059e+04, 3.73773840e+09,
5.31683712e+09, 2.99929139e+10]))
('NEW_L_MULTIPLIERS', array([ -3743.8808303 , -11459.34861611, 4869.91978643, -13380.22100502,
-41159.08251186, -38344.67032296, -43566.35766812]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 9.46711255e-17, 0.00000000e+00,
0.00000000e+00, 7.49178497e-13, -1.03439479e-12,
2.85049762e-13]))
('penalty', 10000)
('old_driving_force', -40301.742975572699, 1.0343947920432583e-12)
('sublsum', -0.090827779799621047)
(1.0, -40301.819909458856, 8.6949392130719616e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60817361 0.33333485 0.05849154], NP=0.4830702054124206), CompositionSet(BCC_A2, [ 0.16677207 0.55902343 0.27420451], NP=0.5169297945875795)])
('step', array([ -8.86774871e-06, 2.77980688e-06, 6.08794184e-06,
1.30587347e-07, -1.33111541e-06, 1.20052807e-06,
-9.52439140e-06, 6.35636611e-06, 3.16802529e-06,
0.00000000e+00, 1.75766761e-05, -1.75766761e-05]))
('conv_angle', 84.223035261875594)
('Site fractions', array([ 9.12260336e-01, 3.01486551e-06, 8.77366492e-02,
1.56820476e-07, 9.99998515e-01, 1.32786539e-06,
1.66772065e-01, 5.59023429e-01, 2.74204506e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.48307021, 0.51692979]))
('Chemical potentials', array([-41159.08251186, -38344.67032296, -43566.35766812]))
('Chem pot progress', array([-0.34131042, 0.04693309, 0.1119173 ]))
('Energy progress', -0.07693590020062402)
('Driving force', 0.013892221766582225)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60817361 0.33333485 0.05849154], NP=0.4830702054124206), CompositionSet(BCC_A2, [ 0.16677207 0.55902343 0.27420451], NP=0.5169297945875795)])
('reduced_hessian eigenvalues', array([ 4.23437258e+03, 1.41318291e+04, 3.40157152e+08,
4.48671452e+08, 4.88487325e+09]))
('NEW_L_MULTIPLIERS', array([ -3744.03407996, -11462.20178543, 4868.55237723, -13376.88360852,
-41161.6407514 , -38344.3280845 , -43565.49947056]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -6.28581033e-17, 0.00000000e+00,
0.00000000e+00, 6.42619291e-11, -8.69493921e-11,
2.26875740e-11]))
('penalty', 10000)
('old_driving_force', -40301.819909458682, 8.6949392130719616e-11)
('sublsum', -0.68611840500300381)
(1.0, -40302.386911982947, 4.1688678620310782e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60812408 0.33335019 0.05852572], NP=0.48320765864984844), CompositionSet(BCC_A2, [ 0.16670098 0.5590691 0.27422992], NP=0.5167923413501515)])
('step', array([ -7.45370582e-05, 2.79699540e-05, 4.65671042e-05,
5.00379317e-07, -9.90920781e-06, 9.40882849e-06,
-7.10895122e-05, 4.56729198e-05, 2.54165924e-05,
0.00000000e+00, 1.37453237e-04, -1.37453237e-04]))
('conv_angle', 82.800635550817034)
('Site fractions', array([ 9.12185799e-01, 3.09848195e-05, 8.77832163e-02,
6.57199793e-07, 9.99988606e-01, 1.07366939e-05,
1.66700976e-01, 5.59069102e-01, 2.74229922e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.48320766, 0.51679234]))
('Chemical potentials', array([-41161.6407514 , -38344.3280845 , -43565.49947056]))
('Chem pot progress', array([-2.55823954, 0.34223846, 0.85819755]))
('Energy progress', -0.5670985040487722)
('Driving force', 0.11903819565486629)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60812408 0.33335019 0.05852572], NP=0.48320765864984844), CompositionSet(BCC_A2, [ 0.16670098 0.5590691 0.27422992], NP=0.5167923413501515)])
('reduced_hessian eigenvalues', array([ 4.22778778e+03, 1.41294480e+04, 3.55502117e+07,
5.25015693e+07, 1.14747088e+09]))
('NEW_L_MULTIPLIERS', array([ -3745.10579749, -11478.4464472 , 4860.61017192, -13357.27412741,
-41175.68061632, -38342.53574771, -43560.61922315]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 2.71389356e-18, 5.55111512e-17,
0.00000000e+00, 2.96416985e-09, -4.16886786e-09,
1.20469790e-09]))
('penalty', 10000)
('old_driving_force', -40302.386911939735, 4.1688678620310782e-09)
('sublsum', -3.8177951160067138)
(1.0, -40305.440886632066, 8.7087737077329308e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60780424 0.33347566 0.0587201 ], NP=0.4840115291879675), CompositionSet(BCC_A2, [ 0.16631339 0.5593029 0.2743837 ], NP=0.5159884708120326)])
('step', array([ -4.80342387e-04, 2.15649184e-04, 2.64693203e-04,
1.15730895e-06, -5.49004263e-05, 5.37431174e-05,
-3.87582479e-04, 2.33801506e-04, 1.53780973e-04,
0.00000000e+00, 8.03870538e-04, -8.03870538e-04]))
('conv_angle', 80.761318422426356)
('Site fractions', array([ 9.11705457e-01, 2.46634003e-04, 8.80479095e-02,
1.81450874e-06, 9.99933706e-01, 6.44798112e-05,
1.66313394e-01, 5.59302903e-01, 2.74383703e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.48401153, 0.51598847]))
('Chemical potentials', array([-41175.68061632, -38342.53574771, -43560.61922315]))
('Chem pot progress', array([-14.03986491, 1.79233679, 4.88024741]))
('Energy progress', -3.055942946783034)
('Driving force', 0.76236021894874284)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60780424 0.33347566 0.0587201 ], NP=0.4840115291879675), CompositionSet(BCC_A2, [ 0.16631339 0.5593029 0.2743837 ], NP=0.5159884708120326)])
('reduced_hessian eigenvalues', array([ 4.20104700e+03, 1.41180508e+04, 4.57706339e+06,
8.61568665e+06, 4.12570736e+08]))
('NEW_L_MULTIPLIERS', array([ -3750.47148181, -11542.73536477, 4828.11503519, -13275.68143835,
-41228.07557478, -38336.4268103 , -43541.32518664]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 7.76288755e-17, 0.00000000e+00,
0.00000000e+00, 5.44541826e-08, -8.70877371e-08,
3.26335545e-08]))
('penalty', 10000)
('old_driving_force', -40305.440883876567, 8.7087737077329308e-08)
('sublsum', -14.638185316919687)
(1.0, -40316.665849104924, 3.5211762380860101e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60629387 0.33421474 0.05949138], NP=0.48733446546232695), CompositionSet(BCC_A2, [ 0.16488688 0.5600641 0.27504902], NP=0.5126655345376732)])
('step', array([ -2.26623439e-03, 1.21391011e-03, 1.05232429e-03,
1.36514352e-06, -2.10559308e-04, 2.09194164e-04,
-1.42651432e-03, 7.61199215e-04, 6.65315106e-04,
0.00000000e+00, 3.32293627e-03, -3.32293627e-03]))
('conv_angle', 77.75183029860689)
('Site fractions', array([ 9.09439222e-01, 1.46054411e-03, 8.91002338e-02,
3.17965226e-06, 9.99723146e-01, 2.73673975e-04,
1.64886879e-01, 5.60064103e-01, 2.75049018e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.48733447, 0.51266553]))
('Chemical potentials', array([-41228.07557478, -38336.4268103 , -43541.32518664]))
('Chem pot progress', array([-52.39495846, 6.10893741, 19.29403651]))
('Energy progress', -11.2309655167046)
('Driving force', 3.4131733212343534)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60629387 0.33421474 0.05949138], NP=0.48733446546232695), CompositionSet(BCC_A2, [ 0.16488688 0.5600641 0.27504902], NP=0.5126655345376732)])
('reduced_hessian eigenvalues', array([ 4.13089068e+03, 1.40549396e+04, 7.80834862e+05,
2.02880737e+06, 2.35845646e+08]))
('NEW_L_MULTIPLIERS', array([ -3768.57634681, -11705.86245302, 4740.69753063, -13050.02748554,
-41347.30205513, -38325.20004254, -43492.87544459]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 8.94466792e-18, 0.00000000e+00,
0.00000000e+00, -2.78640041e-07, -7.34775825e-08,
3.52117624e-07]))
('penalty', 10000)
('old_driving_force', -40316.665898561288, 3.5211762380860101e-07)
('sublsum', -35.366139897950312)
(1.0, -40341.980402278008, 1.6352021789345361e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6013608 0.33716741 0.06147179], NP=0.496420718199975), CompositionSet(BCC_A2, [ 0.16175345 0.56126032 0.27698623], NP=0.5035792818000251)])
('step', array([ -7.39993413e-03, 4.68512444e-03, 2.71480969e-03,
6.51002792e-07, -5.12245457e-04, 5.11594454e-04,
-3.13342825e-03, 1.19622052e-03, 1.93720773e-03,
0.00000000e+00, 9.08625274e-03, -9.08625274e-03]))
('conv_angle', 73.33481497959616)
('Site fractions', array([ 9.02039288e-01, 6.14566856e-03, 9.18150435e-02,
3.83065505e-06, 9.99210901e-01, 7.85268430e-04,
1.61753451e-01, 5.61260323e-01, 2.76986226e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.49642072, 0.50357928]))
('Chemical potentials', array([-41347.30205513, -38325.20004254, -43492.87544459]))
('Chem pot progress', array([-119.22648036, 11.22676775, 48.44974205]))
('Energy progress', -25.586135072328034)
('Driving force', 9.7961829630512511)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6013608 0.33716741 0.06147179], NP=0.496420718199975), CompositionSet(BCC_A2, [ 0.16175345 0.56126032 0.27698623], NP=0.5035792818000251)])
('reduced_hessian eigenvalues', array([ 3.99017281e+03, 1.38493538e+04, 1.86945809e+05,
7.15285310e+05, 1.98581376e+08]))
('NEW_L_MULTIPLIERS', array([ -3808.0494304 , -11945.76559287, 4597.88963298, -12664.58927873,
-41480.75551565, -38321.48155765, -43423.32845018]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -6.44016090e-17, 5.55111512e-17,
0.00000000e+00, -1.63520218e-05, 1.59595240e-05,
3.92497794e-07]))
('penalty', 10000)
('old_driving_force', -40341.982671154197, 1.6352021789345361e-05)
('sublsum', -46.699556708223803)
(1.0, -40371.227133811764, 0.0001168694076870147)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59111579 0.34442837 0.06445584], NP=0.5116608125280434), CompositionSet(BCC_A2, [ 0.15858122 0.56085273 0.28056604], NP=0.4883391874719566)])
('step', array([ -1.53676114e-02, 1.12575631e-02, 4.11004829e-03,
1.77177360e-07, -7.32246511e-04, 7.32069334e-04,
-3.17222677e-03, -4.07588955e-04, 3.57981573e-03,
0.00000000e+00, 1.52400943e-02, -1.52400943e-02]))
('conv_angle', 67.720272655202507)
('Site fractions', array([ 8.86671677e-01, 1.74032316e-02, 9.59250918e-02,
4.00783241e-06, 9.98478654e-01, 1.51733776e-03,
1.58581224e-01, 5.60852734e-01, 2.80566042e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.51166081, 0.48833919]))
('Chemical potentials', array([-41480.75551565, -38321.48155765, -43423.32845018]))
('Chem pot progress', array([-133.45346052, 3.7184849 , 69.54699441]))
('Energy progress', -30.917608468102117)
('Driving force', 15.755111454280268)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59111579 0.34442837 0.06445584], NP=0.5116608125280434), CompositionSet(BCC_A2, [ 0.15858122 0.56085273 0.28056604], NP=0.4883391874719566)])
('reduced_hessian eigenvalues', array([ 3.76605442e+03, 1.33987785e+04, 6.70387225e+04,
3.78482175e+05, 1.94623077e+08]))
('NEW_L_MULTIPLIERS', array([ -3860.04688521, -12124.95175 , 4471.55129629, -12301.69988546,
-41509.73931866, -38339.00718371, -43373.11981976]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 4.77048956e-17, 1.11022302e-16,
0.00000000e+00, -1.07789963e-04, 1.16869408e-04,
-9.07944503e-06]))
('penalty', 10000)
('old_driving_force', -40371.227753898776, 0.0001168694076870147)
('sublsum', -25.678211202868127)
(1.0, -40385.303084021776, 0.00018187088018450925)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57965037 0.35368328 0.06666635], NP=0.5256695571524032), CompositionSet(BCC_A2, [ 0.15840702 0.55712498 0.28446801], NP=0.4743304428475969)])
('step', array([ -1.71981971e-02, 1.41859359e-02, 3.01226121e-03,
1.43258477e-07, -6.07142653e-04, 6.06999395e-04,
-1.74206147e-04, -3.72775824e-03, 3.90196439e-03,
0.00000000e+00, 1.40087446e-02, -1.40087446e-02]))
('conv_angle', 62.800285617624098)
('Site fractions', array([ 8.69473479e-01, 3.15891676e-02, 9.89373530e-02,
4.15109089e-06, 9.97871512e-01, 2.12433716e-03,
1.58407018e-01, 5.57124976e-01, 2.84468006e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.52566956, 0.47433044]))
('Chemical potentials', array([-41509.73931866, -38339.00718371, -43373.11981976]))
('Chem pot progress', array([-28.98380301, -17.52562606, 50.20863042]))
('Energy progress', -15.142022619678755)
('Driving force', 10.744041496196587)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57965037 0.35368328 0.06666635], NP=0.5256695571524032), CompositionSet(BCC_A2, [ 0.15840702 0.55712498 0.28446801], NP=0.4743304428475969)])
('reduced_hessian eigenvalues', array([ 3.53414290e+03, 1.27814401e+04, 3.80289232e+04,
2.75888817e+05, 1.92092087e+08]))
('NEW_L_MULTIPLIERS', array([ -3889.47863618, -12177.89543822, 4424.98543906, -12158.58013033,
-41477.21523697, -38355.80812627, -43358.79882147]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 2.90566182e-17, -1.11022302e-16,
0.00000000e+00, -1.58175689e-04, 1.81870880e-04,
-2.36951908e-05]))
('penalty', 10000)
('old_driving_force', -40385.294544561737, 0.00018187088018450925)
('sublsum', -3.4161890513818389)
(1.0, -40389.927238286167, 4.1157187889384605e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57455662 0.35821743 0.06722595], NP=0.5310647739004029), CompositionSet(BCC_A2, [ 0.15959418 0.55403067 0.28637515], NP=0.46893522609959715)])
('step', array([ -7.64066388e-03, 6.93043071e-03, 7.10233170e-04,
6.86142022e-08, -2.58407444e-04, 2.58338830e-04,
1.18716270e-03, -3.09430733e-03, 1.90714463e-03,
0.00000000e+00, 5.39521675e-03, -5.39521675e-03]))
('conv_angle', 59.567331096325738)
('Site fractions', array([ 8.61832816e-01, 3.85195983e-02, 9.96475861e-02,
4.21970509e-06, 9.97613104e-01, 2.38267599e-03,
1.59594181e-01, 5.54030668e-01, 2.86375151e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.53106477, 0.46893523]))
('Chemical potentials', array([-41477.21523697, -38355.80812627, -43358.79882147]))
('Chem pot progress', array([ 32.5240817 , -16.80094256, 14.32099829]))
('Energy progress', -2.28854942930775)
('Driving force', 1.700864474158152)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57455662 0.35821743 0.06722595], NP=0.5310647739004029), CompositionSet(BCC_A2, [ 0.15959418 0.55403067 0.28637515], NP=0.46893522609959715)])
('reduced_hessian eigenvalues', array([ 3.43103693e+03, 1.24177613e+04, 3.18203981e+04,
2.47877374e+05, 1.90502905e+08]))
('NEW_L_MULTIPLIERS', array([ -3893.18840394, -12181.35530245, 4420.8351622 , -12144.96849991,
-41470.17501065, -38358.37635712, -43357.95812742]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -3.46944695e-17, 5.55111512e-17,
0.00000000e+00, -3.38869018e-05, 4.11571879e-05,
-7.27028605e-06]))
('penalty', 10000)
('old_driving_force', -40389.926887901463, 4.1157187889384605e-05)
('sublsum', -0.037395552136266039)
(1.0, -40390.759007600245, 4.921739114593926e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57401688 0.35873291 0.06725021], NP=0.5315687591363735), CompositionSet(BCC_A2, [ 0.15983171 0.55356958 0.28659871], NP=0.4684312408636265)])
('step', array([ -8.09606303e-04, 7.88906475e-04, 2.06998282e-05,
7.67041267e-09, -3.13875898e-05, 3.13799194e-05,
2.37530023e-04, -4.61089026e-04, 2.23559003e-04,
0.00000000e+00, 5.03985236e-04, -5.03985236e-04]))
('conv_angle', 56.919827734022029)
('Site fractions', array([ 8.61023209e-01, 3.93085047e-02, 9.96682860e-02,
4.22737551e-06, 9.97581717e-01, 2.41405591e-03,
1.59831711e-01, 5.53569579e-01, 2.86598710e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.53156876, 0.46843124]))
('Chemical potentials', array([-41470.17501065, -38358.37635712, -43357.95812742]))
('Chem pot progress', array([ 7.04022631, -2.56823085, 0.84069405]))
('Energy progress', -0.15889586207049433)
('Driving force', 0.019895335215551313)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57401688 0.35873291 0.06725021], NP=0.5315687591363735), CompositionSet(BCC_A2, [ 0.15983171 0.55356958 0.28659871], NP=0.4684312408636265)])
('reduced_hessian eigenvalues', array([ 3.41946859e+03, 1.23756166e+04, 3.12665979e+04,
2.44832972e+05, 1.90296342e+08]))
('NEW_L_MULTIPLIERS', array([ -3893.22319571, -12181.36973158, 4420.80242285, -12144.85289931,
-41470.0908722 , -38358.40294404, -43357.95881573]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 4.33680869e-18, -5.55111512e-17,
0.00000000e+00, -3.91730085e-07, 4.92173911e-07,
-1.00443826e-07]))
('penalty', 10000)
('old_driving_force', -40390.759007554268, 4.921739114593926e-07)
('sublsum', -3.7723554007975447e-06)
(1.0, -40390.768852052272, 4.3335002253286348e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57401166 0.35873806 0.06725027], NP=0.531572966119254), CompositionSet(BCC_A2, [ 0.15983475 0.55356443 0.28660082], NP=0.46842703388074597)])
('step', array([ -7.82663201e-06, 7.90791019e-06, -8.12781880e-08,
9.42901885e-11, -3.57753794e-07, 3.57659504e-07,
3.03745503e-06, -5.14805075e-06, 2.11059572e-06,
0.00000000e+00, 4.20698288e-06, -4.20698288e-06]))
('conv_angle', 55.215306869294551)
('Site fractions', array([ 8.61015383e-01, 3.93164127e-02, 9.96682047e-02,
4.22746980e-06, 9.97581359e-01, 2.41441357e-03,
1.59834748e-01, 5.53564431e-01, 2.86600820e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.53157297, 0.46842703]))
('Chemical potentials', array([-41470.0908722 , -38358.40294404, -43357.95881573]))
('Chem pot progress', array([ 0.08413846, -0.02658692, -0.0006883 ]))
('Energy progress', -0.001722851680824533)
('Driving force', 2.0089646568521857e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57401166 0.35873806 0.06725027], NP=0.531572966119254), CompositionSet(BCC_A2, [ 0.15983475 0.55356443 0.28660082], NP=0.46842703388074597)])
('reduced_hessian eigenvalues', array([ 3.41970809e+03, 1.23753703e+04, 3.12619865e+04,
2.44797318e+05, 1.90293228e+08]))
('NEW_L_MULTIPLIERS', array([ -3893.22320738, -12181.36976729, 4420.80237233, -12144.85278704,
-41470.09085424, -38358.40296884, -43357.95877842]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 2.08166817e-17, 5.55111512e-17,
0.00000000e+00, -3.47293860e-11, 4.33350023e-11,
-8.60567173e-12]))
('penalty', 10000)
('old_driving_force', -40390.768852052272, 4.3335002253286348e-11)
('sublsum', -3.5416030689737178e-13)
(1.0, -40390.768852918976, 7.6761513811973714e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57401166 0.35873806 0.06725028], NP=0.5315729714769143), CompositionSet(BCC_A2, [ 0.15983475 0.55356443 0.28660082], NP=0.4684270285230857)])
('step', array([ -3.58249701e-09, 1.86174894e-09, 1.72074803e-09,
1.80484507e-13, -2.26994684e-10, 2.26814179e-10,
-1.95281101e-09, 8.13210107e-10, 1.13960085e-09,
0.00000000e+00, 5.35766034e-09, -5.35766024e-09]))
('conv_angle', 79.832919278198759)
('Site fractions', array([ 8.61015379e-01, 3.93164145e-02, 9.96682064e-02,
4.22746998e-06, 9.97581359e-01, 2.41441379e-03,
1.59834746e-01, 5.53564432e-01, 2.86600822e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.53157297, 0.46842703]))
('Chemical potentials', array([-41470.09085424, -38358.40296884, -43357.95877842]))
('Chem pot progress', array([ 1.79587951e-05, -2.47930002e-05, 3.73027942e-05]))
('Energy progress', -1.5109253581613302e-07)
('Driving force', 7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.15983475 0.55356443 0.28660082], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.15983476 0.55356443 0.28660081], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.15983475 0.55356443 0.28660082], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.15983475 0.55356443 0.28660082], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.15983472 0.5535645 0.28660078], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.15983475 0.55356443 0.28660082], NP=1.0), 0.0)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57401167 0.35873806 0.06725028], NP=1.0), -7.275957614183426e-12), (CompositionSet(LAVES_C15, [ 0.57401167 0.35873806 0.06725027], NP=1.0), -2.1827872842550278e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9665.68243721, -26415.75628059, -45233.99596708, -38908.4585751 ,
-41438.21703501]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 2.31989036e-02,
9.27767204e-02, -1.15975624e-01]))
('penalty', 10000)
('old_driving_force', -38230.555039257459, 0.11597562397490685)
('sublsum', -215.74590954221742)
(1.0, -40663.567015202658, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0)])
('step', array([ -2.31989036e-02, -9.27767204e-02, 1.15975624e-01,
0.00000000e+00, 5.02473520e-17]))
('conv_angle', 48.925564550468252)
('Site fractions', array([ 0.1 , 0.44, 0.46, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45233.99596708, -38908.4585751 , -41438.21703501]))
('Chem pot progress', array([-2419.40833016, 159.22162848, 170.3518518 ]))
('Energy progress', -52.38727400523203)
('Driving force', 41.134190653334372)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9317.35026867, -26518.86345812, -45374.23192444, -38761.28638818,
-41459.08219991]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, -5.55111512e-17]))
('penalty', 10000)
('old_driving_force', -40663.567015202658, 5.5511151231257827e-17)
('sublsum', 2.0194839173657907e-28)
(1.0, -40663.567015202672, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0)])
('step', array([ 2.87024609e-34, 6.84327002e-33, 5.55111512e-17,
0.00000000e+00, -7.58243382e-33]))
('conv_angle', 109.47122063449069)
('Site fractions', array([ 0.1 , 0.44, 0.46, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45374.23192444, -38761.28638818, -41459.08219991]))
('Chem pot progress', array([-140.23595736, 147.17218692, -20.8651649 ]))
('Energy progress', -1.4551915228366852e-11)
('Driving force', -1.4551915228366852e-11)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9317.35026867, -26518.86345812, -45374.23192444, -38761.28638819,
-41459.08219991]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -40663.567015202672, 0.0)
('sublsum', 0.0)
(1.0, -40663.567015202672, 0.0)
(0.5, -40663.567015202672, 0.0)
(0.25, -40663.567015202672, 0.0)
(0.125, -40663.567015202672, 0.0)
(0.0625, -40663.567015202672, 0.0)
(0.03125, -40663.567015202672, 0.0)
(0, -40663.567015202672, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.1 , 0.44, 0.46, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45374.23192444, -38761.28638819, -41459.08219991]))
('Chem pot progress', array([ 0.00000000e+00, -2.18278728e-11, -1.45519152e-11]))
('Energy progress', 0.0)
('Driving force', 0.0)
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py:249: RuntimeWarning: invalid value encountered in double_scalars
return func(*args2)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.1 0.43999998 0.46000002], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.1 0.44 0.46], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.1 0.44000002 0.45999999], NP=1.0), -2.9103830456733704e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=0.9999999999999999)])
('NEW_L_MULTIPLIERS', array([ 9646.84530338, -26482.31318976, -45784.95324344, -38891.40273043,
-41278.45886587]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 3.31989036e-02,
9.27767204e-02, -1.25975624e-01]))
('penalty', 10000)
('old_driving_force', -37955.762822717174, 0.12597562397490691)
('sublsum', -282.30760952641907)
(1.0, -40619.967170716387, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.09 0.44 0.47], NP=1.0)])
('step', array([ -3.31989036e-02, -9.27767204e-02, 1.25975624e-01,
0.00000000e+00, 2.16212428e-16]))
('conv_angle', 49.75919113109601)
('Site fractions', array([ 0.09, 0.44, 0.47, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45784.95324344, -38891.40273043, -41278.45886587]))
('Chem pot progress', array([-2970.36560652, 176.27747315, 330.11002093]))
('Energy progress', -20.847617020110192)
('Driving force', 13.771489544371434)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.09 0.44 0.47], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9262.87654674, -26590.57331401, -46125.55208729, -38761.25073135,
-41305.78119376]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, -2.77555756e-17,
-5.55111512e-17, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -40619.967170716387, 5.5511151231257827e-17)
('sublsum', 3.5946813729111062e-28)
(1.0, -40619.967170716394, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.09 0.44 0.47], NP=1.0)])
('step', array([ 2.52575738e-17, 4.32986980e-17, -1.30451205e-17,
0.00000000e+00, 2.77555756e-17]))
('conv_angle', 138.76123764053796)
('Site fractions', array([ 0.09, 0.44, 0.47, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-46125.55208729, -38761.25073135, -41305.78119376]))
('Chem pot progress', array([-340.59884386, 130.15199909, -27.32232789]))
('Energy progress', -7.275957614183426e-12)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.09 0.44 0.47], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9262.87654674, -26590.57331401, -46125.55208729, -38761.25073135,
-41305.78119376]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -40619.967170716394, 0.0)
('sublsum', 0.0)
(1.0, -40619.967170716394, 0.0)
(0.5, -40619.967170716394, 0.0)
(0.25, -40619.967170716394, 0.0)
(0.125, -40619.967170716394, 0.0)
(0.0625, -40619.967170716394, 0.0)
(0.03125, -40619.967170716394, 0.0)
(0, -40619.967170716394, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.09 0.44 0.47], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.09, 0.44, 0.47, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-46125.55208729, -38761.25073135, -41305.78119376]))
('Chem pot progress', array([ 7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.09000001 0.43999994 0.47000005], NP=1.0), -5.093170329928398e-11), (CompositionSet(BCC_A2, [ 0.08999999 0.44000005 0.46999995], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.09 0.44 0.47], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.09 0.44 0.47], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.08999999 0.43999999 0.47000002], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.09 0.44 0.47], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.09 0.44 0.47], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.09 0.44 0.47], NP=1.0), -2.9103830456733704e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9617.42860611, -26472.77178226, -45715.96410734, -38830.27125133,
-41352.17205424]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 3.31989036e-02,
8.27767204e-02, -1.15975624e-01]))
('penalty', 10000)
('old_driving_force', -38147.791821410385, 0.11597562397490685)
('sublsum', -249.16004275643388)
(1.0, -40593.950959839356, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0)])
('step', array([ -3.31989036e-02, -8.27767204e-02, 1.15975624e-01,
0.00000000e+00, 1.34651610e-17]))
('conv_angle', 49.793257167728719)
('Site fractions', array([ 0.09, 0.45, 0.46, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45715.96410734, -38830.27125133, -41352.17205424]))
('Chem pot progress', array([-2901.37647043, 237.40895226, 256.39683256]))
('Energy progress', -20.240292975242482)
('Driving force', 16.107017870010168)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9283.32799106, -26561.36588554, -46036.65366446, -38711.66786999,
-41370.43823596]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
-5.55111512e-17, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -40593.950959839356, 5.5511151231257827e-17)
('sublsum', 2.0194839173657911e-28)
(1.0, -40593.950959839356, 0.0)
(0.5, -40593.950959839356, 5.5511151231257827e-17)
(0.25, -40593.950959839356, 5.5511151231257827e-17)
(0.125, -40593.950959839356, 5.5511151231257827e-17)
(0.0625, -40593.950959839356, 5.5511151231257827e-17)
(0.03125, -40593.950959839356, 5.5511151231257827e-17)
(0, -40593.950959839356, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0)])
('step', array([ -1.16740143e-33, 5.55111512e-17, 4.41608228e-33,
0.00000000e+00, -9.33063902e-33]))
('conv_angle', 101.30993247402021)
('Site fractions', array([ 0.09, 0.45, 0.46, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-46036.65366446, -38711.66786999, -41370.43823596]))
('Chem pot progress', array([-320.68955711, 118.60338133, -18.26618171]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9283.32799106, -26561.36588554, -46036.65366446, -38711.66786999,
-41370.43823596]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
-5.55111512e-17, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -40593.950959839356, 5.5511151231257827e-17)
('sublsum', 2.0194839173657911e-28)
(1.0, -40593.950959839356, 0.0)
(0.5, -40593.950959839356, 5.5511151231257827e-17)
(0.25, -40593.950959839356, 5.5511151231257827e-17)
(0.125, -40593.950959839356, 5.5511151231257827e-17)
(0.0625, -40593.950959839356, 5.5511151231257827e-17)
(0.03125, -40593.950959839356, 5.5511151231257827e-17)
(0, -40593.950959839356, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0)])
('step', array([ -1.16740143e-33, 5.55111512e-17, 4.41608228e-33,
0.00000000e+00, -9.33063902e-33]))
('conv_angle', 101.30993247402021)
('Site fractions', array([ 0.09, 0.45, 0.46, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-46036.65366446, -38711.66786999, -41370.43823596]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.09000001 0.44999998 0.46000002], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.09 0.45 0.46], NP=1.0), 0.0)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=nan)
Removing CompositionSet(BCC_A2, [ 1.00000000e-12 5.55555556e-01 4.44444444e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e-12 6.66666667e-01 3.33333333e-01], NP=0.9999999999999999)])
('NEW_L_MULTIPLIERS', array([ 2.33207290e+04, -2.61989841e+04, 4.02499948e+14,
-5.27462663e+04, -5.48345950e+04]))
('L_CONSTRAINTS', array([ -2.22044605e-16, 0.00000000e+00, -8.00000000e-02,
2.16666667e-01, -1.36666667e-01]))
('penalty', 10000)
('old_driving_force', 32199995848130.516, 0.21666666666566631)
('sublsum', -32199995898487.875)
(1.0, -40542.390182888383, 1.3877787807814457e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0)])
('step', array([ 8.00000000e-02, -2.16666667e-01, 1.36666667e-01,
0.00000000e+00, 8.37798901e-17]))
('conv_angle', 72.656695805815019)
('Site fractions', array([ 0.08, 0.45, 0.47, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([ 4.02499948e+14, -5.27462663e+04, -5.48345950e+04]))
('Chem pot progress', array([ 4.02499949e+14, -1.50671902e+04, -1.36188906e+04]))
('Energy progress', -33.622840025003825)
('Driving force', -32199995870157.652)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9228.67435676, -26633.1905186 , -46881.77608556, -38711.45201169,
-41216.3488639 ]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.38777878e-17,
0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -40542.384597079508, 1.3877787807814457e-17)
('sublsum', 1.4263435342862353e-19)
(1.0, -40542.384597079508, 0.0)
(0.5, -40542.384597079508, 1.3877787807814457e-17)
(0.25, -40542.384597079508, 1.3877787807814457e-17)
(0.125, -40542.384597079508, 1.3877787807814457e-17)
(0.0625, -40542.384597079508, 1.3877787807814457e-17)
(0.03125, -40542.384597079508, 1.3877787807814457e-17)
(0, -40542.384597079508, 1.3877787807814457e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0)])
('step', array([ -1.27675648e-17, 6.24500451e-18, 6.52256027e-18,
0.00000000e+00, -1.38777878e-17]))
('conv_angle', 136.37706944769792)
('Site fractions', array([ 0.08, 0.45, 0.47, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-46881.77608556, -38711.45201169, -41216.3488639 ]))
('Chem pot progress', array([ -4.02499949e+14, 1.40348143e+04, 1.36182461e+04]))
('Energy progress', 0.0)
('Driving force', -0.005138944172358606)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9228.67904884, -26633.19096547, -46881.78636345, -38711.45670377,
-41216.35355598]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.38777878e-17,
0.00000000e+00, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -40542.384597079508, 1.3877787807814457e-17)
('sublsum', -6.1089388500315175e-29)
(1.0, -40542.384597079508, 0.0)
(0.5, -40542.384597079508, 1.3877787807814457e-17)
(0.25, -40542.384597079508, 1.3877787807814457e-17)
(0.125, -40542.384597079508, 1.3877787807814457e-17)
(0.0625, -40542.384597079508, 1.3877787807814457e-17)
(0.03125, -40542.384597079508, 1.3877787807814457e-17)
(0, -40542.384597079508, 1.3877787807814457e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0)])
('step', array([ -1.27675648e-17, 6.24500451e-18, 6.52256027e-18,
0.00000000e+00, -1.38777878e-17]))
('conv_angle', 81.422939505427095)
('Site fractions', array([ 0.08, 0.45, 0.47, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-46881.78636345, -38711.45670377, -41216.35355598]))
('Chem pot progress', array([-0.01027789, -0.00469208, -0.00469208]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9228.67904884, -26633.19096547, -46881.78636345, -38711.45670377,
-41216.35355598]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.38777878e-17,
0.00000000e+00, 0.00000000e+00]))
('penalty', 100.0)
('old_driving_force', -40542.384597079508, 1.3877787807814457e-17)
('sublsum', -6.1089388500315175e-29)
(1.0, -40542.384597079508, 0.0)
(0.5, -40542.384597079508, 1.3877787807814457e-17)
(0.25, -40542.384597079508, 1.3877787807814457e-17)
(0.125, -40542.384597079508, 1.3877787807814457e-17)
(0.0625, -40542.384597079508, 1.3877787807814457e-17)
(0.03125, -40542.384597079508, 1.3877787807814457e-17)
(0, -40542.384597079508, 1.3877787807814457e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0)])
('step', array([ -1.27675648e-17, 6.24500451e-18, 6.52256027e-18,
0.00000000e+00, -1.38777878e-17]))
('conv_angle', 81.422939505427095)
('Site fractions', array([ 0.08, 0.45, 0.47, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-46881.78636345, -38711.45670377, -41216.35355598]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.08 0.45 0.47000001], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.08 0.45000003 0.46999997], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.08 0.45 0.47], NP=1.0), 0.0)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.19265504251210858), CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=0.8073449574878915)])
('reduced_hessian eigenvalues', array([ 2.69390698e+03, 4.65717895e+03, 1.07016703e+14,
3.21429299e+14, 4.20252049e+14]))
('NEW_L_MULTIPLIERS', array([ -2026.35065944, -5940.24793774, 6854.0143086 , -19848.33289248,
-40831.77234898, -39137.15061649, -42678.02855333]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 0.00000000e+00,
0.00000000e+00, -5.50320956e-02, 1.15819182e-01,
-6.07870864e-02]))
('penalty', 10000)
('old_driving_force', -38904.964095623698, 0.11581918203501582)
('sublsum', -19.769846868332266)
(1.0, -41064.64254062064, 0.0087551248526102354)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60820603 0.33333333 0.05846063], NP=0.25378404897269585), CompositionSet(BCC_A2, [ 0.2737965 0.19318864 0.53301486], NP=0.7462159510273041)])
('step', array([ 2.34201609e-02, 4.57024175e-11, -2.34201609e-02,
2.92060447e-11, -6.99529393e-11, 4.07471027e-11,
3.74638739e-02, -1.43223739e-01, 1.05759865e-01,
0.00000000e+00, 6.11290065e-02, -6.11290065e-02]))
('conv_angle', 89.772774860596925)
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1.65882454e+05, 8.67078746e+07]))
('NEW_L_MULTIPLIERS', array([ -2099.68471156, -6320.02438072, 5956.46288205, -19656.39610021,
-41187.8175673 , -39002.70243088, -42568.19484645]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -4.20670443e-17, -1.11022302e-16,
0.00000000e+00, -9.54010929e-05, 1.41498603e-04,
-4.60975101e-05]))
('penalty', 10000)
('old_driving_force', -41273.980301226824, 0.00014149860297393846)
('sublsum', -9.8962103402826056)
(1.0, -41281.452810511561, 5.9135191942366605e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5771895 0.35164523 0.07116527], NP=0.27682433586808275), CompositionSet(BCC_A2, [ 0.27678826 0.16968931 0.55352243], NP=0.7231756641319171)])
('step', array([ -1.38798965e-02, 1.18264451e-02, 2.05345143e-03,
1.32166005e-07, -6.96889376e-04, 6.96757210e-04,
1.45640544e-03, -4.21502331e-03, 2.75861788e-03,
0.00000000e+00, 4.98315281e-03, -4.98315281e-03]))
('conv_angle', 55.274246189178697)
('Site fractions', array([ 8.65781685e-01, 2.87963313e-02, 1.05421984e-01,
5.12658976e-06, 9.97343030e-01, 2.65184329e-03,
2.76788259e-01, 1.69689308e-01, 5.53522434e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.27682434, 0.72317566]))
('Chemical potentials', array([-41187.8175673 , -39002.70243088, -42568.19484645]))
('Chem pot progress', array([-10.95775107, -6.84020841, 7.06870969]))
('Energy progress', -6.060885243183293)
('Driving force', 4.2151801784275449)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5771895 0.35164523 0.07116527], NP=0.27682433586808275), CompositionSet(BCC_A2, [ 0.27678826 0.16968931 0.55352243], NP=0.7231756641319171)])
('reduced_hessian eigenvalues', array([ 2.52124567e+03, 6.47220714e+03, 3.03837199e+04,
1.24488428e+05, 8.59461593e+07]))
('NEW_L_MULTIPLIERS', array([ -2095.92745823, -6297.414955 , 5944.17657109, -19659.29367082,
-41166.84400621, -39002.23087363, -42578.85920948]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 8.23993651e-18, 2.22044605e-16,
0.00000000e+00, -5.33677016e-05, 5.91351919e-05,
-5.76749036e-06]))
('penalty', 10000)
('old_driving_force', -41281.451780593052, 5.9135191942366605e-05)
('sublsum', -1.0405817708173515)
(1.0, -41283.175413971105, 4.6374826978556882e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57371554 0.35486266 0.0714218 ], NP=0.276920196548435), CompositionSet(BCC_A2, [ 0.27815203 0.16835182 0.55349615], NP=0.723079803451565)])
('step', array([ -5.21095702e-03, 4.94199341e-03, 2.68963609e-04,
3.72266885e-08, -2.31710866e-04, 2.31673639e-04,
1.36377295e-03, -1.33748864e-03, -2.62843090e-05,
0.00000000e+00, 9.58606804e-05, -9.58606804e-05]))
('conv_angle', 51.19646396804697)
('Site fractions', array([ 8.60570727e-01, 3.37383247e-02, 1.05690948e-01,
5.16381645e-06, 9.97111319e-01, 2.88351693e-03,
2.78152031e-01, 1.68351819e-01, 5.53496150e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.2769202, 0.7230798]))
('Chemical potentials', array([-41166.84400621, -39002.23087363, -42578.85920948]))
('Chem pot progress', array([ 20.97356109, 0.47155725, -10.66436303]))
('Energy progress', -0.6854462325572968)
('Driving force', 0.49081347770697903)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57371554 0.35486266 0.0714218 ], NP=0.276920196548435), CompositionSet(BCC_A2, [ 0.27815203 0.16835182 0.55349615], NP=0.723079803451565)])
('reduced_hessian eigenvalues', array([ 2.51467239e+03, 6.27387664e+03, 2.62376754e+04,
1.14532835e+05, 8.53483133e+07]))
('NEW_L_MULTIPLIERS', array([ -2095.01957933, -6293.09940513, 5944.22373267, -19661.97747008,
-41163.68537439, -39001.98373433, -42580.54810203]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 1.00180281e-16, 0.00000000e+00,
0.00000000e+00, -4.63748270e-07, 4.36637151e-07,
2.71111190e-08]))
('penalty', 10000)
('old_driving_force', -41283.175412568417, 4.6374826978556882e-07)
('sublsum', -0.0088421471870806997)
(1.0, -41283.188227952742, 4.5244987090242716e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57339027 0.3551817 0.07142803], NP=0.27682754847667507), CompositionSet(BCC_A2, [ 0.27831511 0.16825293 0.55343196], NP=0.7231724515233249)])
('step', array([ -4.87908128e-04, 4.89022385e-04, -1.11425665e-06,
2.54785454e-09, -2.09090286e-05, 2.09064808e-05,
1.63082016e-04, -9.88920446e-05, -6.41899713e-05,
0.00000000e+00, -9.26480718e-05, 9.26480718e-05]))
('conv_angle', 55.198301022907238)
('Site fractions', array([ 8.60082819e-01, 3.42273471e-02, 1.05689834e-01,
5.16636430e-06, 9.97090410e-01, 2.90442341e-03,
2.78315114e-01, 1.68252927e-01, 5.53431960e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.27682755, 0.72317245]))
('Chemical potentials', array([-41163.68537439, -39001.98373433, -42580.54810203]))
('Chem pot progress', array([ 3.15863182, 0.2471393 , -1.68889255]))
('Energy progress', -0.005425245130027179)
('Driving force', 0.0042263299474143423)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57339027 0.3551817 0.07142803], NP=0.27682754847667507), CompositionSet(BCC_A2, [ 0.27831511 0.16825293 0.55343196], NP=0.7231724515233249)])
('reduced_hessian eigenvalues', array([ 2.51271908e+03, 6.25207867e+03, 2.58868703e+04,
1.13670421e+05, 8.52780598e+07]))
('NEW_L_MULTIPLIERS', array([ -2095.01005251, -6293.05533863, 5944.22977353, -19662.00761589,
-41163.65712133, -39001.98104844, -42580.56366454]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -2.29850861e-17, -1.11022302e-16,
0.00000000e+00, 4.52449871e-08, -3.87210841e-08,
-6.52390303e-09]))
('penalty', 10000)
('old_driving_force', -41283.188227954015, 4.5244987090242716e-08)
('sublsum', -6.0679525306861189e-07)
(1.0, -41283.189133061613, 4.776512518844811e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57338767 0.35518435 0.07142799], NP=0.27682636042611164), CompositionSet(BCC_A2, [ 0.27831653 0.16825227 0.55343119], NP=0.7231736395738884)])
('step', array([ -3.90323683e-06, 4.04869871e-06, -1.45461889e-07,
2.16528564e-11, -1.61677317e-07, 1.61655665e-07,
1.41828717e-06, -6.51951541e-07, -7.66335624e-07,
0.00000000e+00, -1.18805056e-06, 1.18805056e-06]))
('conv_angle', 57.813513226464146)
('Site fractions', array([ 8.60078916e-01, 3.42313958e-02, 1.05689688e-01,
5.16638595e-06, 9.97090249e-01, 2.90458507e-03,
2.78316532e-01, 1.68252275e-01, 5.53431193e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.27682636, 0.72317364]))
('Chemical potentials', array([-41163.65712133, -39001.98104844, -42580.56366454]))
('Chem pot progress', array([ 0.02825306, 0.00268589, -0.01556251]))
('Energy progress', 7.414803985739127e-05)
('Driving force', 2.8526847017928958e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57338767 0.35518435 0.07142799], NP=0.27682636042611164), CompositionSet(BCC_A2, [ 0.27831653 0.16825227 0.55343119], NP=0.7231736395738884)])
('reduced_hessian eigenvalues', array([ 2.51329202e+03, 6.25186042e+03, 2.58866223e+04,
1.13664488e+05, 8.52773422e+07]))
('NEW_L_MULTIPLIERS', array([ -2095.01005019, -6293.0553376 , 5944.2297799 , -19662.00761321,
-41163.65711632, -39001.98105323, -42580.56366565]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 5.46437895e-17, 1.11022302e-16,
0.00000000e+00, 4.77651252e-12, -3.91722765e-12,
-8.59201599e-13]))
('penalty', 10000)
('old_driving_force', -41283.189133061613, 4.776512518844811e-12)
('sublsum', -1.6439211316181696e-15)
(1.0, -41283.189133157139, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57338767 0.35518435 0.07142799], NP=0.27682635997990546), CompositionSet(BCC_A2, [ 0.27831653 0.16825228 0.55343119], NP=0.7231736400200945)])
('step', array([ 3.04706209e-11, 5.24423896e-11, -8.29129966e-11,
-1.53279851e-14, 1.55075589e-11, -1.54922856e-11,
1.67683226e-10, 1.05394077e-10, -2.73077414e-10,
0.00000000e+00, -4.46206193e-10, 4.46206192e-10]))
('conv_angle', 84.286059759102713)
('Site fractions', array([ 8.60078916e-01, 3.42313958e-02, 1.05689688e-01,
5.16638594e-06, 9.97090249e-01, 2.90458505e-03,
2.78316532e-01, 1.68252275e-01, 5.53431193e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.27682636, 0.72317364]))
('Chemical potentials', array([-41163.65711632, -39001.98105323, -42580.56366565]))
('Chem pot progress', array([ 5.00743772e-06, -4.78688889e-06, -1.10547990e-06]))
('Energy progress', 7.261405698955059e-09)
('Driving force', 1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.27831654 0.16825227 0.5534312 ], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.20238091 0.37353477 0.42408432], NP=1.0), 9.268436457001371), (CompositionSet(BCC_A2, [ 0.20238091 0.37353477 0.42408432], NP=1.0), 9.268436456994095), (CompositionSet(BCC_A2, [ 0.27831653 0.16825236 0.55343111], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.20238091 0.37353477 0.42408432], NP=1.0), 9.26843645698682), (CompositionSet(BCC_A2, [ 0.20238089 0.37353482 0.42408428], NP=1.0), 9.268436457001371), (CompositionSet(BCC_A2, [ 0.27831653 0.16825227 0.55343119], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.20238091 0.37353477 0.42408432], NP=1.0), 9.26843645698682), (CompositionSet(BCC_A2, [ 0.20238091 0.37353477 0.42408432], NP=1.0), 9.268436457015923)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57338767 0.35518434 0.07142799], NP=1.0), -5.093170329928398e-11), (CompositionSet(LAVES_C15, [ 0.57338767 0.35518435 0.07142799], NP=1.0), -5.820766091346741e-11)], 'HCP_A3': []})
Adding CompositionSet(LAVES_C15, [ 0.57338767 0.35518434 0.07142799], NP=0.27682635676113243)
Adding CompositionSet(BCC_A2, [ 0.20238091 0.37353477 0.42408432], NP=3.493863531338873e-08)
Adding CompositionSet(BCC_A2, [ 0.27831654 0.16825227 0.5534312 ], NP=0.7231736083002321)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57338767 0.35518434 0.07142799], NP=0.27682635676113243), CompositionSet(BCC_A2, [ 0.20238091 0.37353477 0.42408432], NP=3.493863531338873e-08), CompositionSet(BCC_A2, [ 0.27831654 0.16825227 0.5534312 ], NP=0.7231736083002321)])
('reduced_hessian eigenvalues', array([ -1.34518172e+01, 5.70908374e-04, 6.70211748e+01,
3.05989340e+03, 6.38395754e+03, 2.59038943e+04,
1.13669431e+05, 8.53658131e+07]))
('reduced_hessian modified eigenvalues', array([ 5.70908474e-04, 1.34518172e+01, 6.70211748e+01,
3.05989340e+03, 6.38395754e+03, 2.59038943e+04,
1.13669431e+05, 8.53658131e+07]))
('NEW_L_MULTIPLIERS', array([ -2051.3849461 , -6144.85001727, 1102.73672875, -2983.70037714,
4743.90898075, -16928.18826226, -41134.34612528, -39048.43355559,
-42586.44282746]))
('L_CONSTRAINTS', array([ 1.38777878e-17, -3.25260652e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, -2.77555756e-17, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -41283.18913348097, 3.2526065174565133e-17)
('sublsum', -1.061566952731114)
(1.0, -40891.178404576203, 0.017352517170569348)
(0.5, -41190.729564636684, 0.0043381292926423232)
(0.25, -41260.947493396023, 0.0010845323231605253)
(0.125, -41277.795532573888, 0.00027113308079018683)
(0.0625, -41281.887071040641, 6.7783270197518952e-05)
(0.03125, -41282.881892308505, 1.6945817549351982e-05)
(0, -41283.18913348097, 3.2526065174565133e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57338767 0.35518434 0.07142799], NP=0.27682635676113243), CompositionSet(BCC_A2, [ 0.20238091 0.37353477 0.42408432], NP=3.493863531338873e-08), CompositionSet(BCC_A2, [ 0.27831654 0.16825227 0.5534312 ], NP=0.7231736083002321)])
('step', array([ 9.74049210e-04, -4.23676675e-04, -5.50372535e-04,
2.11503740e-08, 2.37779966e-06, -2.39895003e-06,
1.65147066e-01, -6.44729388e-02, -1.00674128e-01,
0.00000000e+00, 1.44238358e-02, -3.07285376e-02,
1.63047018e-02, 0.00000000e+00, -6.48441238e-03,
1.14535747e-01, -1.08051335e-01]))
('conv_angle', 89.952764099802465)
('Site fractions', array([ 8.60078920e-01, 3.42313931e-02, 1.05689687e-01,
5.16638582e-06, 9.97090249e-01, 2.90458475e-03,
2.02380909e-01, 3.73534769e-01, 4.24084322e-01,
1.00000000e+00, 2.78316536e-01, 1.68252267e-01,
5.53431197e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.76826357e-01, 3.49386353e-08, 7.23173608e-01]))
('Chemical potentials', array([-41134.34612528, -39048.43355559, -42586.44282746]))
('Chem pot progress', array([ 6.43334348, -9.57957001, -5.58414199]))
('Energy progress', 0.0)
('Driving force', 2.1368413831005455)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57338767 0.35518434 0.07142799], NP=0.27682635676113243), CompositionSet(BCC_A2, [ 0.20238091 0.37353477 0.42408432], NP=3.493863531338873e-08), CompositionSet(BCC_A2, [ 0.27831654 0.16825227 0.5534312 ], NP=0.7231736083002321)])
('reduced_hessian eigenvalues', array([ -1.90398617e+01, 5.03487925e-04, 7.49847111e+01,
3.06259599e+03, 6.38001882e+03, 2.59034927e+04,
1.13669349e+05, 8.53658133e+07]))
('reduced_hessian modified eigenvalues', array([ 5.03487856e-04, 1.90398617e+01, 7.49847111e+01,
3.06259599e+03, 6.38001882e+03, 2.59034927e+04,
1.13669349e+05, 8.53658133e+07]))
('NEW_L_MULTIPLIERS', array([ -2057.29225758, -6164.54015969, 944.25251342, -2553.65857746,
4917.97779985, -17323.41082512, -41137.38015598, -39043.48459809,
-42587.05291445]))
('L_CONSTRAINTS', array([ 1.38777878e-17, -3.25260652e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, -2.77555756e-17, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -41283.18913348097, 3.2526065174565133e-17)
('sublsum', -0.90872489607219298)
(1.0, -41231.154209604567, 0.011658676495041265)
(0.5, -41273.892128403553, 0.0029146691237603162)
(0.25, -41281.448643284144, 0.00072866728094012068)
(0.125, -41282.872965623908, 0.00018216682023503017)
(0.0625, -41283.146516305409, 4.554170505877142e-05)
(0.03125, -41283.193699058495, 1.1385426264665099e-05)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57340611 0.3551765 0.0714174 ], NP=0.2766505974188817), CompositionSet(BCC_A2, [ 0.20643486 0.37278744 0.42077771], NP=0.003063945707805899), CompositionSet(BCC_A2, [ 0.27870291 0.16743097 0.55386612], NP=0.7202854568733122)])
('step', array([ 8.85030719e-04, -3.78123331e-04, -5.06907388e-04,
1.78615607e-08, 2.85934066e-06, -2.87720222e-06,
1.29726322e-01, -2.39146426e-02, -1.05811679e-01,
0.00000000e+00, 1.23640414e-02, -2.62814773e-02,
1.39174359e-02, 0.00000000e+00, -5.62429895e-03,
9.80451446e-02, -9.24208457e-02]))
('conv_angle', 89.943725168960626)
('Site fractions', array([ 8.60106577e-01, 3.42195767e-02, 1.05673846e-01,
5.16694399e-06, 9.97090338e-01, 2.90449483e-03,
2.06434856e-01, 3.72787437e-01, 4.20777707e-01,
1.00000000e+00, 2.78702912e-01, 1.67430970e-01,
5.53866117e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.2766506 , 0.00306395, 0.72028546]))
('Chemical potentials', array([-41137.38015598, -39043.48459809, -42587.05291445]))
('Chem pot progress', array([-3.0340307 , 4.9489575 , -0.61008699]))
('Energy progress', -0.01065614036633633)
('Driving force', 2.3692218883443275)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57340611 0.3551765 0.0714174 ], NP=0.2766505974188817), CompositionSet(BCC_A2, [ 0.20643486 0.37278744 0.42077771], NP=0.003063945707805899), CompositionSet(BCC_A2, [ 0.27870291 0.16743097 0.55386612], NP=0.7202854568733122)])
('reduced_hessian eigenvalues', array([ -1.91415908e+01, 1.98754399e+01, 1.34029712e+02,
3.04476783e+03, 6.37154751e+03, 2.58904926e+04,
1.13593394e+05, 8.52937997e+07]))
('reduced_hessian modified eigenvalues', array([ 1.91415908e+01, 1.98754399e+01, 1.34029712e+02,
3.04476783e+03, 6.37154751e+03, 2.58904926e+04,
1.13593394e+05, 8.52937997e+07]))
('NEW_L_MULTIPLIERS', array([ -2032.60513702, -6081.93844907, 1421.61568286, -3837.8857055 ,
4409.57227741, -16165.62272176, -41122.80975441, -39066.5600036 ,
-42590.83771518]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 1.34441069e-17, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
1.13017796e-05, 8.36466659e-08, -1.13854263e-05]))
('penalty', 10000)
('old_driving_force', -41282.988967218582, 1.1385426264665099e-05)
('sublsum', -1.3061190003318581)
(1.0, -40887.964911022522, 0.017645342162453281)
(0.5, -41190.836009923383, 0.0044056846508139791)
(0.25, -41261.059164559374, 0.0010943575504542835)
(0.125, -41277.988246553032, 0.00026581941413950094)
(0.0625, -41282.121808771437, 5.8331699448299634e-05)
(0.03125, -41283.130466056798, 6.2831804692464743e-06)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57343429 0.35516451 0.0714012 ], NP=0.2763672811184787), CompositionSet(BCC_A2, [ 0.20315156 0.37294329 0.42390515], NP=0.007574502834270763), CompositionSet(BCC_A2, [ 0.27927404 0.16622277 0.55450319], NP=0.7160582160472504)])
('step', array([ 1.35265542e-03, -5.77374108e-04, -7.75281308e-04,
2.71635692e-08, 4.42085284e-06, -4.44801641e-06,
-1.05065566e-01, 4.98743294e-03, 1.00078133e-01,
0.00000000e+00, 1.82760387e-02, -3.86622658e-02,
2.03862271e-02, 0.00000000e+00, -9.06612161e-03,
1.44337828e-01, -1.35271706e-01]))
('conv_angle', 89.951846071236062)
('Site fractions', array([ 8.60148848e-01, 3.42015338e-02, 1.05649619e-01,
5.16779285e-06, 9.97090476e-01, 2.90435583e-03,
2.03151557e-01, 3.72943294e-01, 4.23905149e-01,
1.00000000e+00, 2.79274039e-01, 1.66222775e-01,
5.54503187e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27636728, 0.0075745 , 0.71605822]))
('Chemical potentials', array([-41122.80975441, -39066.5600036 , -42590.83771518]))
('Chem pot progress', array([ 14.57040157, -23.07540551, -3.78480074]))
('Energy progress', -0.04478913925413508)
('Driving force', 3.750423090030381)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57343429 0.35516451 0.0714012 ], NP=0.2763672811184787), CompositionSet(BCC_A2, [ 0.20315156 0.37294329 0.42390515], NP=0.007574502834270763), CompositionSet(BCC_A2, [ 0.27927404 0.16622277 0.55450319], NP=0.7160582160472504)])
('reduced_hessian eigenvalues', array([ -8.62305805e+00, 8.49714886e+01, 1.87349898e+02,
3.07752476e+03, 6.37063177e+03, 2.58674030e+04,
1.13472545e+05, 8.51864644e+07]))
('reduced_hessian modified eigenvalues', array([ 8.62305806e+00, 8.49714886e+01, 1.87349898e+02,
3.07752476e+03, 6.37063177e+03, 2.58674030e+04,
1.13472545e+05, 8.51864644e+07]))
('NEW_L_MULTIPLIERS', array([ -2033.9750457 , -6082.61512121, 1533.08343503, -4147.82329835,
4297.57938167, -15854.1256802 , -41116.80663646, -39076.11490622,
-42590.56157405]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -2.29850861e-17, 0.00000000e+00,
0.00000000e+00, 1.11022302e-16, 0.00000000e+00,
-6.28318047e-06, 5.89476537e-06, 3.88415099e-07]))
('penalty', 10000)
('old_driving_force', -41283.130372121472, 6.2831804692464743e-06)
('sublsum', -1.3008279562647216)
(1.0, -40740.915558520799, 0.027141049392363031)
(0.5, -41147.8324449184, 0.0067823149654057391)
(0.25, -41249.667823092415, 0.0016918945129951457)
(0.125, -41275.032943176251, 0.00041892097705684139)
(0.0625, -41281.327643443903, 0.00010049338165449284)
(0.03125, -41282.881126805732, 2.0794377094929262e-05)
(0, -41283.130372121472, 6.2831804692464743e-06)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57343429 0.35516451 0.0714012 ], NP=0.2763672811184787), CompositionSet(BCC_A2, [ 0.20315156 0.37294329 0.42390515], NP=0.007574502834270763), CompositionSet(BCC_A2, [ 0.27927404 0.16622277 0.55450319], NP=0.7160582160472504)])
('step', array([ 1.47895799e-03, -6.41145017e-04, -8.37812972e-04,
3.17365757e-08, 3.78599788e-06, -3.81773445e-06,
8.04356277e-02, -2.15822104e-01, 1.35386476e-01,
0.00000000e+00, 1.84857432e-02, -3.90201347e-02,
2.05343916e-02, 0.00000000e+00, -8.74348998e-03,
1.51602403e-01, -1.42858913e-01]))
('conv_angle', 89.966683486267272)
('Site fractions', array([ 8.60148848e-01, 3.42015338e-02, 1.05649619e-01,
5.16779285e-06, 9.97090476e-01, 2.90435583e-03,
2.03151557e-01, 3.72943294e-01, 4.23905149e-01,
1.00000000e+00, 2.79274039e-01, 1.66222775e-01,
5.54503187e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27636728, 0.0075745 , 0.71605822]))
('Chemical potentials', array([-41116.80663646, -39076.11490622, -42590.56157405]))
('Chem pot progress', array([ 6.00311796, -9.55490263, 0.27614113]))
('Energy progress', 0.0)
('Driving force', 3.5754938636091538)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57343429 0.35516451 0.0714012 ], NP=0.2763672811184787), CompositionSet(BCC_A2, [ 0.20315156 0.37294329 0.42390515], NP=0.007574502834270763), CompositionSet(BCC_A2, [ 0.27927404 0.16622277 0.55450319], NP=0.7160582160472504)])
('reduced_hessian eigenvalues', array([ -1.36846577e+01, 9.09171875e+01, 1.89526229e+02,
3.07993072e+03, 6.36833872e+03, 2.58668046e+04,
1.13472372e+05, 8.51864646e+07]))
('reduced_hessian modified eigenvalues', array([ 1.36846577e+01, 9.09171875e+01, 1.89526229e+02,
3.07993072e+03, 6.36833872e+03, 2.58668046e+04,
1.13472372e+05, 8.51864646e+07]))
('NEW_L_MULTIPLIERS', array([ -2047.24689273, -6128.43925602, 1152.2351403 , -3115.06780344,
4708.3592316 , -16809.95152933, -41126.7435626 , -39060.2183425 ,
-42589.92338004]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -2.29850861e-17, 0.00000000e+00,
0.00000000e+00, 1.11022302e-16, 0.00000000e+00,
-6.28318047e-06, 5.89476537e-06, 3.88415099e-07]))
('penalty', 1000.0)
('old_driving_force', -41283.243625759824, 6.2831804692464743e-06)
('sublsum', -0.96025594629524691)
(1.0, -41259.091375142765, 0.011925181406102742)
(0.5, -41277.496056074837, 0.0029783479688406389)
(0.25, -41281.969218972081, 0.00074090276385388454)
(0.125, -41283.007361633776, 0.00018117303977158161)
(0.0625, -41283.233169424959, 4.1056397333150141e-05)
(0.03125, -41283.271002874157, 7.5301607472266774e-06)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57345861 0.3551542 0.07138719], NP=0.27615657782545616), CompositionSet(BCC_A2, [ 0.20484203 0.3687631 0.42639487], NP=0.011074587280940597), CompositionSet(BCC_A2, [ 0.27970569 0.16531587 0.55497845], NP=0.7127688348936031)])
('step', array([ 1.16729943e-03, -4.96957815e-04, -6.70341615e-04,
2.32458994e-08, 3.91740067e-06, -3.94064657e-06,
5.40950325e-02, -1.33766176e-01, 7.96711435e-02,
0.00000000e+00, 1.38128012e-02, -2.90211006e-02,
1.52082993e-02, 0.00000000e+00, -6.74250538e-03,
1.12002702e-01, -1.05260197e-01]))
('conv_angle', 89.950035791842865)
('Site fractions', array([ 8.60185326e-01, 3.41860038e-02, 1.05628671e-01,
5.16851929e-06, 9.97090599e-01, 2.90423269e-03,
2.04842027e-01, 3.68763101e-01, 4.26394872e-01,
1.00000000e+00, 2.79705689e-01, 1.65315865e-01,
5.54978446e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27615658, 0.01107459, 0.71276883]))
('Chemical potentials', array([-41126.7435626 , -39060.2183425 , -42589.92338004]))
('Chem pot progress', array([ -9.93692614, 15.89656372, 0.63819401]))
('Energy progress', -0.06476751220907317)
('Driving force', 3.3574743066346855)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57345861 0.3551542 0.07138719], NP=0.27615657782545616), CompositionSet(BCC_A2, [ 0.20484203 0.3687631 0.42639487], NP=0.011074587280940597), CompositionSet(BCC_A2, [ 0.27970569 0.16531587 0.55497845], NP=0.7127688348936031)])
('reduced_hessian eigenvalues', array([ 2.58393740e+00, 8.15832874e+01, 2.65894009e+02,
3.07960350e+03, 6.36927944e+03, 2.58516666e+04,
1.13382839e+05, 8.51013954e+07]))
('NEW_L_MULTIPLIERS', array([ -1979.62907334, -5888.76426208, 3418.44276892, -9289.58318754,
2295.99133438, -11030.50686671, -41065.56041729, -39158.17700258,
-42593.2729625 ]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 1.90819582e-17, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-1.59502973e-06, -5.93513101e-06, 7.53016075e-06]))
('penalty', 10000)
('old_driving_force', -41283.135918566353, 7.5301607472266774e-06)
('sublsum', -2.7711954994780408)
(1.0, -35632.496167078425, 0.30348083879070009)
(0.5, -40234.862706080632, 0.051142629006181273)
(0.25, -41029.038157689494, 0.012789366708429478)
(0.125, -41219.763306862071, 0.0032014220796799109)
(0.0625, -41267.419368234987, 0.00080462139533676869)
(0.03125, -41279.279271776344, 0.00020551396067305938)
(0, -41283.135918566353, 7.5301607472266774e-06)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57345861 0.3551542 0.07138719], NP=0.27615657782545616), CompositionSet(BCC_A2, [ 0.20484203 0.3687631 0.42639487], NP=0.011074587280940597), CompositionSet(BCC_A2, [ 0.27970569 0.16531587 0.55497845], NP=0.7127688348936031)])
('step', array([ 3.03922382e-03, -1.36671411e-03, -1.67250971e-03,
7.49608408e-08, 2.78070083e-06, -2.85566167e-06,
2.08183471e-01, -6.72243940e-01, 4.64060469e-01,
0.00000000e+00, 3.92018377e-02, -8.31002786e-02,
4.38984409e-02, 0.00000000e+00, -1.69838134e-02,
3.44844150e-01, -3.27860337e-01]))
('conv_angle', 89.989057763254692)
('Site fractions', array([ 8.60185326e-01, 3.41860038e-02, 1.05628671e-01,
5.16851929e-06, 9.97090599e-01, 2.90423269e-03,
2.04842027e-01, 3.68763101e-01, 4.26394872e-01,
1.00000000e+00, 2.79705689e-01, 1.65315865e-01,
5.54978446e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27615658, 0.01107459, 0.71276883]))
('Chemical potentials', array([-41065.56041729, -39158.17700258, -42593.2729625 ]))
('Chem pot progress', array([ 61.18314531, -97.95866007, -3.34958246]))
('Energy progress', 0.0)
('Driving force', 4.2888132580992533)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57345861 0.3551542 0.07138719], NP=0.27615657782545616), CompositionSet(BCC_A2, [ 0.20484203 0.3687631 0.42639487], NP=0.011074587280940597), CompositionSet(BCC_A2, [ 0.27970569 0.16531587 0.55497845], NP=0.7127688348936031)])
('reduced_hessian eigenvalues', array([ -4.96633564e+01, 1.44045109e+02, 2.84995277e+02,
3.10500576e+03, 6.34456958e+03, 2.58457399e+04,
1.13381147e+05, 8.51013975e+07]))
('reduced_hessian modified eigenvalues', array([ 4.96633564e+01, 1.44045109e+02, 2.84995277e+02,
3.10500576e+03, 6.34456958e+03, 2.58457399e+04,
1.13381147e+05, 8.51013975e+07]))
('NEW_L_MULTIPLIERS', array([ -2069.81201446, -6205.52155172, 533.22668963, -1438.85720344,
5381.89644559, -18354.14018603, -41141.89452977, -39035.97520826,
-42589.73224064]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 1.90819582e-17, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-1.59502973e-06, -5.93513101e-06, 7.53016075e-06]))
('penalty', 1000.0)
('old_driving_force', -41283.270884593527, 7.5301607472266774e-06)
('sublsum', -0.35679513478106345)
(1.0, -41281.692141817788, 0.00087294162425619048)
(0.5, -41282.981954584648, 0.00022120297157138258)
(0.25, -41283.248682471734, 5.9010199777026484e-05)
(0.125, -41283.290972427865, 1.8832952516784074e-05)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 0.5735135 0.35513284 0.07135366], NP=0.2757609446304698), CompositionSet(BCC_A2, [ 0.20686099 0.36498949 0.42814952], NP=0.01659850128643689), CompositionSet(BCC_A2, [ 0.28039657 0.16391248 0.55569094], NP=0.7076405540830932)])
('step', array([ 6.58681910e-04, -2.58551131e-04, -4.00130779e-04,
8.81584718e-09, 4.46356004e-06, -4.47237589e-06,
1.61516930e-02, -3.01888847e-02, 1.40371917e-02,
0.00000000e+00, 5.52707293e-03, -1.12270557e-02,
5.69998276e-03, 0.00000000e+00, -3.16506556e-03,
4.41913120e-02, -4.10262465e-02]))
('conv_angle', 89.850291831960533)
('Site fractions', array([ 8.60267661e-01, 3.41536849e-02, 1.05578654e-01,
5.16962127e-06, 9.97091157e-01, 2.90367364e-03,
2.06860989e-01, 3.64989490e-01, 4.28149521e-01,
1.00000000e+00, 2.80396573e-01, 1.63912483e-01,
5.55690944e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27576094, 0.0165985 , 0.70764055]))
('Chemical potentials', array([-41141.89452977, -39035.97520826, -42589.73224064]))
('Chem pot progress', array([ -76.33411249, 122.20179432, 3.54072186]))
('Energy progress', -0.07725456182379276)
('Driving force', 3.3554792722279672)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5735135 0.35513284 0.07135366], NP=0.2757609446304698), CompositionSet(BCC_A2, [ 0.20686099 0.36498949 0.42814952], NP=0.01659850128643689), CompositionSet(BCC_A2, [ 0.28039657 0.16391248 0.55569094], NP=0.7076405540830932)])
('reduced_hessian eigenvalues', array([ 2.16702045e+01, 6.31079542e+01, 3.96897881e+02,
3.07903510e+03, 6.37127206e+03, 2.58297923e+04,
1.13231353e+05, 8.49498245e+07]))
('NEW_L_MULTIPLIERS', array([ -2064.48568506, -6187.03337024, 831.463373 , -2255.7567089 ,
5045.11815665, -17583.02962293, -41139.72846901, -39040.30348468,
-42582.32401676]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 1.17093835e-17, 5.55111512e-17,
0.00000000e+00, 1.11022302e-16, 0.00000000e+00,
6.19215513e-06, -1.88329525e-05, 1.26407974e-05]))
('penalty', 10000)
('old_driving_force', -41282.952167855226, 1.8832952516784074e-05)
('sublsum', -0.52935052246517333)
(1.0, -41258.147312221765, 0.0012634715354277737)
(0.5, -41277.062421793053, 0.0003221882825478195)
(0.25, -41281.673358490101, 8.8447569000560389e-05)
(0.125, -41282.77461118951, 3.0802440450117263e-05)
(0.0625, -41282.936684350854, 2.1209533618199439e-05)
(0.03125, -41282.962459358947, 1.9132832909080077e-05)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57352534 0.35512719 0.07134747], NP=0.2756496029653243), CompositionSet(BCC_A2, [ 0.20695585 0.3640459 0.42899826], NP=0.018782655357140673), CompositionSet(BCC_A2, [ 0.28066255 0.16334711 0.55599034], NP=0.7055677416775349)])
('step', array([ 5.68291963e-04, -2.70807764e-04, -2.97484199e-04,
1.71464068e-08, -1.07695991e-06, 1.05981351e-06,
3.03554020e-03, -3.01950433e-02, 2.71595031e-02,
0.00000000e+00, 8.51126912e-03, -1.80920184e-02,
9.58074933e-03, 0.00000000e+00, -3.56293328e-03,
6.98929303e-02, -6.63299970e-02]))
('conv_angle', 89.906238620612314)
('Site fractions', array([ 8.60285420e-01, 3.41452222e-02, 1.05569358e-01,
5.17015710e-06, 9.97091123e-01, 2.90370676e-03,
2.06955849e-01, 3.64045895e-01, 4.28998256e-01,
1.00000000e+00, 2.80662550e-01, 1.63347108e-01,
5.55990342e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.2756496 , 0.01878266, 0.70556774]))
('Chemical potentials', array([-41139.72846901, -39040.30348468, -42582.32401676]))
('Chem pot progress', array([ 2.16606076, -4.32827642, 7.40822388]))
('Energy progress', -0.01812878615601221)
('Driving force', 0.39998649556218879)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57352534 0.35512719 0.07134747], NP=0.2756496029653243), CompositionSet(BCC_A2, [ 0.20695585 0.3640459 0.42899826], NP=0.018782655357140673), CompositionSet(BCC_A2, [ 0.28066255 0.16334711 0.55599034], NP=0.7055677416775349)])
('reduced_hessian eigenvalues', array([ 2.13557550e+01, 7.10745174e+01, 4.48090224e+02,
3.08715702e+03, 6.37435190e+03, 2.58215035e+04,
1.13179355e+05, 8.49022350e+07]))
('NEW_L_MULTIPLIERS', array([ -2065.05008153, -6188.35405316, 827.45498165, -2247.98549118,
5052.65934742, -17587.19596479, -41139.04502246, -39041.35341232,
-42582.59557319]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 4.20670443e-17, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
5.65320152e-06, -1.91328329e-05, 1.34796314e-05]))
('penalty', 10000)
('old_driving_force', -41282.962479650218, 1.9132832909080077e-05)
('sublsum', -0.48871301919883137)
(1.0, -41251.762272332642, 0.0015823707268946552)
(0.5, -41275.458177038912, 0.00040233249741611354)
(0.25, -41281.23941064594, 0.00011048267724381167)
(0.125, -41282.586553704743, 4.0774491935929857e-05)
(0.0625, -41282.895777092512, 2.3945346637382903e-05)
(0.03125, -41282.959425305999, 2.0037010826950974e-05)
(0, -41282.962479650218, 1.9132832909080077e-05)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57352534 0.35512719 0.07134747], NP=0.2756496029653243), CompositionSet(BCC_A2, [ 0.20695585 0.3640459 0.42899826], NP=0.018782655357140673), CompositionSet(BCC_A2, [ 0.28066255 0.16334711 0.55599034], NP=0.7055677416775349)])
('step', array([ 5.76530023e-04, -2.72145591e-04, -3.04384432e-04,
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7.05486093e-03, -3.90814504e-02, 3.20265895e-02,
0.00000000e+00, 8.10018580e-03, -1.71025336e-02,
9.00234782e-03, 0.00000000e+00, -3.39319958e-03,
6.73697032e-02, -6.39765036e-02]))
('conv_angle', 89.911096246059245)
('Site fractions', array([ 8.60285420e-01, 3.41452222e-02, 1.05569358e-01,
5.17015710e-06, 9.97091123e-01, 2.90370676e-03,
2.06955849e-01, 3.64045895e-01, 4.28998256e-01,
1.00000000e+00, 2.80662550e-01, 1.63347108e-01,
5.55990342e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.2756496 , 0.01878266, 0.70556774]))
('Chemical potentials', array([-41139.04502246, -39041.35341232, -42582.59557319]))
('Chem pot progress', array([ 0.68344655, -1.04992763, -0.27155643]))
('Energy progress', 0.0)
('Driving force', 0.49896322670247173)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57352534 0.35512719 0.07134747], NP=0.2756496029653243), CompositionSet(BCC_A2, [ 0.20695585 0.3640459 0.42899826], NP=0.018782655357140673), CompositionSet(BCC_A2, [ 0.28066255 0.16334711 0.55599034], NP=0.7055677416775349)])
('reduced_hessian eigenvalues', array([ 2.09790831e+01, 7.18224383e+01, 4.47992966e+02,
3.08745721e+03, 6.37401541e+03, 2.58214447e+04,
1.13179340e+05, 8.49022350e+07]))
('NEW_L_MULTIPLIERS', array([ -2064.96969922, -6188.03118894, 831.51040974, -2259.13258351,
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-42582.64513407]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 4.20670443e-17, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
5.65320152e-06, -1.91328329e-05, 1.34796314e-05]))
('penalty', 1000.0)
('old_driving_force', -41283.306875260656, 1.9132832909080077e-05)
('sublsum', -0.49116011446546465)
(1.0, -41280.047376729024, 0.00167738292123365)
(0.5, -41282.647462519577, 0.00042842160567621579)
(0.25, -41283.211254291869, 0.00011906342198722553)
(0.125, -41283.316460041337, 4.2919678121811078e-05)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 0.5735738 0.35510431 0.0713219 ], NP=0.2752236936304654), CompositionSet(BCC_A2, [ 0.20792003 0.35891754 0.43316242], NP=0.02725701102211364), CompositionSet(BCC_A2, [ 0.281679 0.16120119 0.55711981], NP=0.6975192953474209)])
('step', array([ 5.81508993e-04, -2.74194585e-04, -3.07314408e-04,
1.69623178e-08, -8.05100257e-07, 7.88137939e-07,
7.71346891e-03, -4.10268165e-02, 3.33133476e-02,
0.00000000e+00, 8.13161087e-03, -1.71673221e-02,
9.03571127e-03, 0.00000000e+00, -3.40727468e-03,
6.77948453e-02, -6.43875706e-02]))
('conv_angle', 89.912559800871591)
('Site fractions', array([ 8.60358109e-01, 3.41109479e-02, 1.05530943e-01,
5.17227738e-06, 9.97091022e-01, 2.90380528e-03,
2.07920033e-01, 3.58917543e-01, 4.33162424e-01,
1.00000000e+00, 2.81679001e-01, 1.61201192e-01,
5.57119806e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27522369, 0.02725701, 0.6975193 ]))
('Chemical potentials', array([-41138.89609512, -39041.58569491, -42582.64513407]))
('Chem pot progress', array([ 0.14892734, -0.2322826 , -0.04956089]))
('Energy progress', -0.14245359304186422)
('Driving force', 0.46010403891705209)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5735738 0.35510431 0.0713219 ], NP=0.2752236936304654), CompositionSet(BCC_A2, [ 0.20792003 0.35891754 0.43316242], NP=0.02725701102211364), CompositionSet(BCC_A2, [ 0.281679 0.16120119 0.55711981], NP=0.6975192953474209)])
('reduced_hessian eigenvalues', array([ 3.20588688e+01, 7.58022635e+01, 6.43350961e+02,
3.11252770e+03, 6.37474724e+03, 2.57870726e+04,
1.12979830e+05, 8.47181189e+07]))
('NEW_L_MULTIPLIERS', array([ -2068.39289092, -6199.44668287, 719.04465632, -1954.09569314,
5169.3253257 , -17861.53366849, -41140.84549818, -39038.51108987,
-42582.23970995]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 3.03576608e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
4.91589252e-06, -4.29196781e-05, 3.80037856e-05]))
('penalty', 10000)
('old_driving_force', -41282.543779698688, 4.2919678121811078e-05)
('sublsum', -0.29557421385988719)
(1.0, -41280.147629873056, 0.00016883888086594023)
(0.5, -41282.515216434309, 4.973501500332711e-05)
(0.25, -41282.742745046635, 3.6186119754644253e-05)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 0.57364795 0.35506886 0.0712832 ], NP=0.2746033445833056), CompositionSet(BCC_A2, [ 0.20842892 0.3562477 0.43532339], NP=0.03916364960952381), CompositionSet(BCC_A2, [ 0.28314676 0.15813233 0.55872091], NP=0.6862330058071705)])
('step', array([ 4.44885024e-04, -2.12254857e-04, -2.32630167e-04,
1.35234074e-08, -8.87568849e-07, 8.74045442e-07,
2.03554729e-03, -1.06793916e-02, 8.64384432e-03,
0.00000000e+00, 5.87103971e-03, -1.22754506e-02,
6.40441086e-03, 0.00000000e+00, -2.48139619e-03,
4.76265543e-02, -4.51451582e-02]))
('conv_angle', 89.880428414996217)
('Site fractions', array([ 8.60469330e-01, 3.40578842e-02, 1.05472786e-01,
5.17565824e-06, 9.97090801e-01, 2.90402379e-03,
2.08428920e-01, 3.56247695e-01, 4.35323385e-01,
1.00000000e+00, 2.83146761e-01, 1.58132330e-01,
5.58720909e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27460334, 0.03916365, 0.68623301]))
('Chemical potentials', array([-41140.84549818, -39038.51108987, -42582.23970995]))
('Chem pot progress', array([-1.94940305, 3.07460504, 0.40542413]))
('Energy progress', -0.03308441682747798)
('Driving force', 0.25102985047851689)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57364795 0.35506886 0.0712832 ], NP=0.2746033445833056), CompositionSet(BCC_A2, [ 0.20842892 0.3562477 0.43532339], NP=0.03916364960952381), CompositionSet(BCC_A2, [ 0.28314676 0.15813233 0.55872091], NP=0.6862330058071705)])
('reduced_hessian eigenvalues', array([ 4.53326108e+01, 8.59832311e+01, 9.17087997e+02,
3.14660936e+03, 6.37549990e+03, 2.57461329e+04,
1.12690560e+05, 8.44475980e+07]))
('NEW_L_MULTIPLIERS', array([ -2069.44606172, -6202.57024199, 670.55403708, -1822.0489658 ,
5220.31196336, -17988.05411623, -41140.84992627, -39038.55521432,
-42581.94580871]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -4.59701721e-17, -5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-6.86551067e-06, -2.93206091e-05, 3.61861198e-05]))
('penalty', 10000)
('old_driving_force', -41282.742757005937, 3.6186119754644253e-05)
('sublsum', -0.14569504385131563)
(1.0, -41279.113180695953, 0.00022099220357083005)
(0.5, -41282.708549024501, 4.0587746349074472e-05)
(0.25, -41283.081015523989, 2.0861323795084985e-05)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 0.57370318 0.35504212 0.07125471], NP=0.27417262356214683), CompositionSet(BCC_A2, [ 0.20839261 0.3561037 0.4355037 ], NP=0.046829640755488885), CompositionSet(BCC_A2, [ 0.28414625 0.15607237 0.55978138], NP=0.6789977356823642)])
('step', array([ 3.31378333e-04, -1.60002999e-04, -1.71375333e-04,
1.04982046e-08, -8.75837691e-07, 8.65339486e-07,
-1.45251797e-04, -5.75988581e-04, 7.21240378e-04,
0.00000000e+00, 3.99796157e-03, -8.23984496e-03,
4.24188339e-03, 0.00000000e+00, -1.72288408e-03,
3.06639646e-02, -2.89410805e-02]))
('conv_angle', 89.854789241087971)
('Site fractions', array([ 8.60552174e-01, 3.40178834e-02, 1.05429942e-01,
5.17828279e-06, 9.97090582e-01, 2.90424012e-03,
2.08392607e-01, 3.56103698e-01, 4.35503695e-01,
1.00000000e+00, 2.84146251e-01, 1.56072369e-01,
5.59781380e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27417262, 0.04682964, 0.67899774]))
('Chemical potentials', array([-41140.84992627, -39038.55521432, -42581.94580871]))
('Chem pot progress', array([-0.0044281 , -0.04412445, 0.29390124]))
('Energy progress', 0.03476896316715283)
('Driving force', 0.10711826683109393)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57370318 0.35504212 0.07125471], NP=0.27417262356214683), CompositionSet(BCC_A2, [ 0.20839261 0.3561037 0.4355037 ], NP=0.046829640755488885), CompositionSet(BCC_A2, [ 0.28414625 0.15607237 0.55978138], NP=0.6789977356823642)])
('reduced_hessian eigenvalues', array([ 5.24284381e+01, 9.96697466e+01, 1.09053343e+03,
3.17259371e+03, 6.37652004e+03, 2.57213240e+04,
1.12487864e+05, 8.42574681e+07]))
('NEW_L_MULTIPLIERS', array([ -2069.98728791, -6204.12944643, 650.09648276, -1766.55413973,
5242.32603089, -18040.44714665, -41140.76117839, -39038.71418771,
-42581.85510398]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -2.60208521e-18, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-1.26828797e-05, -8.17844409e-06, 2.08613238e-05]))
('penalty', 10000)
('old_driving_force', -41283.081017590783, 2.0861323795084985e-05)
('sublsum', -0.07506869805923809)
(1.0, -41281.47501459319, 0.00010293783145701174)
(0.5, -41283.093244778742, 2.1645235818129605e-05)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 0.57378675 0.35500146 0.07121179], NP=0.27356104696914285), CompositionSet(BCC_A2, [ 0.20838805 0.35587799 0.43573396], NP=0.05726467650573704), CompositionSet(BCC_A2, [ 0.28554717 0.15321545 0.56123738], NP=0.6691742765251201)])
('step', array([ 2.50729799e-04, -1.21611849e-04, -1.29117949e-04,
8.09011141e-09, -7.29703424e-07, 7.21613312e-07,
-9.12118018e-06, -4.51411379e-04, 4.60532559e-04,
0.00000000e+00, 2.80183101e-03, -5.71384037e-03,
2.91200937e-03, 0.00000000e+00, -1.22315319e-03,
2.08700715e-02, -1.96469183e-02]))
('conv_angle', 89.838393183219253)
('Site fractions', array([ 8.60677539e-01, 3.39570775e-02, 1.05365383e-01,
5.18232784e-06, 9.97090217e-01, 2.90460093e-03,
2.08388046e-01, 3.55877992e-01, 4.35733962e-01,
1.00000000e+00, 2.85547167e-01, 1.53215448e-01,
5.61237385e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27356105, 0.05726468, 0.66917428]))
('Chemical potentials', array([-41140.76117839, -39038.71418771, -42581.85510398]))
('Chem pot progress', array([ 0.08874789, -0.1589734 , 0.09070473]))
('Energy progress', 0.06692834193381714)
('Driving force', 0.044139693629404064)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57378675 0.35500146 0.07121179], NP=0.27356104696914285), CompositionSet(BCC_A2, [ 0.20838805 0.35587799 0.43573396], NP=0.05726467650573704), CompositionSet(BCC_A2, [ 0.28554717 0.15321545 0.56123738], NP=0.6691742765251201)])
('reduced_hessian eigenvalues', array([ 5.94328622e+01, 1.20811697e+02, 1.32084512e+03,
3.21581056e+03, 6.37853157e+03, 2.56916510e+04,
1.12203140e+05, 8.39838035e+07]))
('NEW_L_MULTIPLIERS', array([ -2070.34210552, -6205.14184395, 635.20383778, -1726.16168211,
5258.39388484, -18078.84967794, -41140.68643146, -39038.84735978,
-42581.78100017]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 8.23993651e-18, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-2.02019803e-05, 2.16452358e-05, -1.44325551e-06]))
('penalty', 10000)
('old_driving_force', -41283.093240279217, 2.1645235818129605e-05)
('sublsum', -0.015952928438472319)
(1.0, -41283.15990953007, 1.8703156282967592e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387154 0.3549599 0.07116856], NP=0.27299434629416086), CompositionSet(BCC_A2, [ 0.20843361 0.35562631 0.43594008], NP=0.06615077706779152), CompositionSet(BCC_A2, [ 0.28680751 0.15070132 0.56249117], NP=0.6608548766380477)])
('step', array([ 1.27170564e-04, -6.21212801e-05, -6.50492836e-05,
4.22112589e-09, -4.27719221e-07, 4.23498095e-07,
4.55607268e-05, -2.51680445e-04, 2.06119718e-04,
0.00000000e+00, 1.26034319e-03, -2.51413132e-03,
1.25378813e-03, 0.00000000e+00, -5.66700675e-04,
8.88610056e-03, -8.31939989e-03]))
('conv_angle', 89.810254355338316)
('Site fractions', array([ 8.60804710e-01, 3.38949562e-02, 1.05300334e-01,
5.18654897e-06, 9.97089789e-01, 2.90502443e-03,
2.08433607e-01, 3.55626312e-01, 4.35940081e-01,
1.00000000e+00, 2.86807510e-01, 1.50701317e-01,
5.62491173e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27299435, 0.06615078, 0.66085488]))
('Chemical potentials', array([-41140.68643146, -39038.84735978, -42581.78100017]))
('Chem pot progress', array([ 0.07474693, -0.13317206, 0.07410381]))
('Energy progress', -0.003734397207153961)
('Driving force', 0.0075818920013261959)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57387154 0.3549599 0.07116856], NP=0.27299434629416086), CompositionSet(BCC_A2, [ 0.20843361 0.35562631 0.43594008], NP=0.06615077706779152), CompositionSet(BCC_A2, [ 0.28680751 0.15070132 0.56249117], NP=0.6608548766380477)])
('reduced_hessian eigenvalues', array([ 6.53578231e+01, 1.41724802e+02, 1.50968517e+03,
3.25882126e+03, 6.38109551e+03, 2.56713364e+04,
1.11935989e+05, 8.37249900e+07]))
('NEW_L_MULTIPLIERS', array([ -2070.43882923, -6205.41840456, 631.93217513, -1717.29446962,
5261.88196038, -18087.19573759, -41140.66639608, -39038.88276545,
-42581.76161408]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 2.68882139e-17, -5.55111512e-17,
0.00000000e+00, 1.11022302e-16, 0.00000000e+00,
-1.01284877e-05, 1.87031563e-05, -8.57466860e-06]))
('penalty', 10000)
('old_driving_force', -41283.159908498717, 1.8703156282967592e-05)
('sublsum', -1.4601305823775654e-05)
(1.0, -41283.533445116642, 2.6691099469511315e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.2730066019183981), CompositionSet(BCC_A2, [ 0.20844032 0.35561932 0.43594036], NP=0.06581066832766413), CompositionSet(BCC_A2, [ 0.28677637 0.15077549 0.56244814], NP=0.6611827297539378)])
('step', array([ 4.82271864e-07, -3.45310120e-07, -1.36961744e-07,
5.11756781e-11, -1.76922103e-08, 1.76410346e-08,
6.71002108e-06, -6.98731176e-06, 2.77290678e-07,
0.00000000e+00, -3.11368817e-05, 7.41720793e-05,
-4.30351976e-05, 0.00000000e+00, 1.22556242e-05,
-3.40108740e-04, 3.27853116e-04]))
('conv_angle', 89.882331942168435)
('Site fractions', array([ 8.60805192e-01, 3.38946109e-02, 1.05300197e-01,
5.18660015e-06, 9.97089771e-01, 2.90504207e-03,
2.08440317e-01, 3.55619325e-01, 4.35940359e-01,
1.00000000e+00, 2.86776373e-01, 1.50775489e-01,
5.62448138e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.2730066 , 0.06581067, 0.66118273]))
('Chemical potentials', array([-41140.66639608, -39038.88276545, -42581.76161408]))
('Chem pot progress', array([ 0.02003537, -0.03540567, 0.01938609]))
('Energy progress', -0.05159764680865919)
('Driving force', 9.9652679637074471e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.2730066019183981), CompositionSet(BCC_A2, [ 0.20844032 0.35561932 0.43594036], NP=0.06581066832766413), CompositionSet(BCC_A2, [ 0.28677637 0.15077549 0.56244814], NP=0.6611827297539378)])
('reduced_hessian eigenvalues', array([ 6.48247088e+01, 1.40596804e+02, 1.50328733e+03,
3.25587128e+03, 6.37974612e+03, 2.56732592e+04,
1.11941420e+05, 8.37286524e+07]))
('NEW_L_MULTIPLIERS', array([ -2070.43857648, -6205.41762883, 631.92628033, -1717.27840993,
5261.88919579, -18087.21215729, -41140.66637034, -39038.88281234,
-42581.76158786]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -8.89045781e-17, 5.55111512e-17,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
-1.24865199e-08, 2.66910995e-08, -1.42045796e-08]))
('penalty', 10000)
('old_driving_force', -41283.533445116635, 2.6691099469511315e-08)
('sublsum', -9.2115608110108233e-11)
(1.0, -41283.533978937157, 7.5689454703820047e-14)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.27300656783790933), CompositionSet(BCC_A2, [ 0.20844033 0.35561937 0.43594031], NP=0.06581005320924996), CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=0.6611833789528407)])
('step', array([ 4.91950267e-10, -3.95086075e-10, -9.68642203e-11,
4.76833560e-14, -9.14842507e-12, 9.10083062e-12,
9.22235047e-09, 4.23021590e-08, -5.15245095e-08,
0.00000000e+00, -4.02484000e-08, 1.56627834e-07,
-1.16379434e-07, 0.00000000e+00, -3.40804888e-08,
-6.15118414e-07, 6.49198903e-07]))
('conv_angle', 89.795785828005108)
('Site fractions', array([ 8.60805193e-01, 3.38946105e-02, 1.05300197e-01,
5.18660019e-06, 9.97089771e-01, 2.90504208e-03,
2.08440326e-01, 3.55619367e-01, 4.35940307e-01,
1.00000000e+00, 2.86776333e-01, 1.50775646e-01,
5.62448021e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.27300657, 0.06581005, 0.66118338]))
('Chemical potentials', array([-41140.66637034, -39038.88281234, -42581.76158786]))
('Chem pot progress', array([ 2.57434222e-05, -4.68924190e-05, 2.62234898e-05]))
('Energy progress', -7.656888919882476e-05)
('Driving force', 6.5483618527650833e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=1.0), -9.458744898438454e-11), (CompositionSet(BCC_A2, [ 0.20844033 0.35561937 0.43594031], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.20844032 0.35561938 0.4359403 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=1.0), -9.458744898438454e-11), (CompositionSet(BCC_A2, [ 0.20844033 0.35561935 0.43594032], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.20844032 0.35561938 0.4359403 ], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.28677629 0.15077572 0.56244798], NP=1.0), -1.0186340659856796e-10), (CompositionSet(BCC_A2, [ 0.20844033 0.35561936 0.43594031], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.20844034 0.35561934 0.43594033], NP=1.0), -2.1827872842550278e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=1.0), -2.1827872842550278e-11), (CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=1.0), -2.1827872842550278e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.1644699068885944), CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=0.8355300931114056)])
('reduced_hessian eigenvalues', array([ 2.65620186e+03, 3.95565750e+03, 9.15468367e+13,
2.74841542e+14, 3.61581824e+14]))
('NEW_L_MULTIPLIERS', array([ -1817.20352914, -5328.17274131, 7104.67298482, -20531.57199153,
-40834.65378441, -39134.81040716, -42677.91570576]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 0.00000000e+00,
0.00000000e+00, -5.50733311e-02, 1.15905965e-01,
-6.08326341e-02]))
('penalty', 10000)
('old_driving_force', -38922.309617941726, 0.11590596523982397)
('sublsum', -19.17794127239415)
(1.0, -41083.048267948849, 0.0087462566008640608)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60897655 0.33333333 0.05769011], NP=0.2276249093179156), CompositionSet(BCC_A2, [ 0.27209323 0.19792364 0.52998313], NP=0.7723750906820843)])
('step', array([ 2.45759424e-02, 4.80178640e-11, -2.45759424e-02,
3.06836900e-11, -7.34926807e-11, 4.28091963e-11,
3.57606071e-02, -1.38488738e-01, 1.02728131e-01,
0.00000000e+00, 6.31550024e-02, -6.31550024e-02]))
('conv_angle', 89.734916437691666)
('Site fractions', array([ 9.13464831e-01, 4.90178640e-11, 8.65351687e-02,
3.16836900e-11, 1.00000000e+00, 4.38091963e-11,
2.72093232e-01, 1.97923637e-01, 5.29983131e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.22762491, 0.77237509]))
('Chemical potentials', array([-40834.65378441, -39134.81040716, -42677.91570576]))
('Chem pot progress', array([ -7.13269053, -49.52599789, 15.92165091]))
('Energy progress', 17.504865633658483)
('Driving force', -4.6825323715529521)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60897655 0.33333333 0.05769011], NP=0.2276249093179156), CompositionSet(BCC_A2, [ 0.27209323 0.19792364 0.52998313], NP=0.7723750906820843)])
('reduced_hessian eigenvalues', array([ 2.68762892e+03, 6.97356112e+03, 4.75886024e+12,
1.44383358e+13, 1.50614472e+13]))
('NEW_L_MULTIPLIERS', array([ -1727.13477094, -5103.93786524, 6680.09175497, -21078.12122767,
-40906.82314293, -38959.65470331, -42731.01808252]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 1.77849094e-17, 0.00000000e+00,
0.00000000e+00, -1.22373209e-03, 8.74625660e-03,
-7.52252451e-03]))
('penalty', 10000)
('old_driving_force', -41085.068004570574, 0.0087462566008640608)
('sublsum', -1.0892115419852653)
(1.0, -41258.013674686146, 0.00012617955349275567)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60381778 0.33333333 0.06284888], NP=0.21762913308393161), CompositionSet(BCC_A2, [ 0.27955775 0.18835221 0.53209004], NP=0.7823708669160684)])
('step', array([ -7.73815540e-03, 9.46187609e-10, 7.73815445e-03,
3.60108893e-10, -1.09870332e-09, 7.38594415e-10,
7.46451698e-03, -9.57142679e-03, 2.10690980e-03,
0.00000000e+00, -9.99577623e-03, 9.99577623e-03]))
('conv_angle', 89.886557475481808)
('Site fractions', array([ 9.05726676e-01, 9.95205473e-10, 9.42733231e-02,
3.91792583e-10, 9.99999999e-01, 7.82403611e-10,
2.79557749e-01, 1.88352210e-01, 5.32090041e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.21762913, 0.78237087]))
('Chemical potentials', array([-40906.82314293, -38959.65470331, -42731.01808252]))
('Chem pot progress', array([ -72.16935852, 175.15570385, -53.10237676]))
('Energy progress', -31.427759849728318)
('Driving force', 2.3126444775116397)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60381778 0.33333333 0.06284888], NP=0.21762913308393161), CompositionSet(BCC_A2, [ 0.27955775 0.18835221 0.53209004], NP=0.7823708669160684)])
('reduced_hessian eigenvalues', array([ 2.63678248e+03, 6.15180333e+03, 2.82035226e+11,
6.82715684e+11, 1.05293625e+12]))
('NEW_L_MULTIPLIERS', array([ -1729.05165394, -5104.7599576 , 6673.98109956, -21077.11418834,
-40904.10818731, -38960.72901682, -42727.31658732]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 2.45069629e-17, 0.00000000e+00,
0.00000000e+00, 1.26179553e-04, -9.56738431e-05,
-3.05057104e-05]))
('penalty', 10000)
('old_driving_force', -41258.014007124992, 0.00012617955349275567)
('sublsum', -0.0065446154479699764)
(1.0, -41260.54002275606, 5.0528311812403359e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6033267 0.33333334 0.06333996], NP=0.21772416587607193), CompositionSet(BCC_A2, [ 0.27949369 0.18845688 0.53204943], NP=0.782275834123928)])
('step', array([ -7.36632023e-04, 1.71050122e-08, 7.36614918e-04,
3.67784382e-09, -1.52298313e-08, 1.15519875e-08,
-6.40618150e-05, 1.04674789e-04, -4.06129737e-05,
0.00000000e+00, 9.50327921e-05, -9.50327921e-05]))
('conv_angle', 89.982543082342104)
('Site fractions', array([ 9.04990044e-01, 1.81002176e-08, 9.50099381e-02,
4.06963640e-09, 9.99999984e-01, 1.23343911e-08,
2.79493687e-01, 1.88456885e-01, 5.32049428e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.21772417, 0.78227583]))
('Chemical potentials', array([-40904.10818731, -38960.72901682, -42727.31658732]))
('Chem pot progress', array([ 2.71495562, -1.07431351, 3.7014952 ]))
('Energy progress', 0.12676570448093116)
('Driving force', 0.0033484841405879706)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6033267 0.33333334 0.06333996], NP=0.21772416587607193), CompositionSet(BCC_A2, [ 0.27949369 0.18845688 0.53204943], NP=0.782275834123928)])
('reduced_hessian eigenvalues', array([ 2.63738014e+03, 6.10821912e+03, 1.91480870e+10,
3.75553502e+10, 9.47837880e+10]))
('NEW_L_MULTIPLIERS', array([ -1729.07077823, -5104.80990514, 6673.95393753, -21077.05545136,
-40904.12228793, -38960.73180728, -42727.30736144]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 3.28714131e-17, 0.00000000e+00,
0.00000000e+00, -4.05813756e-08, -9.94693619e-09,
5.05283118e-08]))
('penalty', 10000)
('old_driving_force', -41260.54002275713, 5.0528311812403359e-08)
('sublsum', -0.0049304406134031593)
(1.0, -41260.54528200678, 3.9811487440033488e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60332467 0.33333345 0.06334188], NP=0.21772657711186041), CompositionSet(BCC_A2, [ 0.27949331 0.18845642 0.53205027], NP=0.7822734228881395)])
('step', array([ -3.06210648e-06, 2.58459452e-07, 2.80364703e-06,
2.86611442e-08, -1.76682215e-07, 1.48021071e-07,
-3.80777950e-07, -4.65407373e-07, 8.46185323e-07,
0.00000000e+00, 2.41123579e-06, -2.41123579e-06]))
('conv_angle', 86.919813867204383)
('Site fractions', array([ 9.04986982e-01, 2.76559669e-07, 9.50127417e-02,
3.27307806e-08, 9.99999807e-01, 1.60355462e-07,
2.79493307e-01, 1.88456419e-01, 5.32050274e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.21772658, 0.78227342]))
('Chemical potentials', array([-40904.12228793, -38960.73180728, -42727.30736144]))
('Chem pot progress', array([-0.01410062, -0.00279046, 0.00922588]))
('Energy progress', -0.004137311792874243)
('Driving force', 0.00068171082966728136)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60332467 0.33333345 0.06334188], NP=0.21772657711186041), CompositionSet(BCC_A2, [ 0.27949331 0.18845642 0.53205027], NP=0.7822734228881395)])
('reduced_hessian eigenvalues', array([ 2.63833491e+03, 6.10960064e+03, 1.53767119e+09,
2.45823171e+09, 1.12872193e+10]))
('NEW_L_MULTIPLIERS', array([ -1729.26698123, -5105.52225526, 6673.57730186, -21076.31195254,
-40904.47431886, -38960.76824575, -42727.10952798]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 6.18272377e-17, 0.00000000e+00,
0.00000000e+00, -3.98114874e-12, 1.39566136e-12,
2.58543187e-12]))
('penalty', 10000)
('old_driving_force', -41260.54528200678, 3.9811487440033488e-12)
('sublsum', -0.046840514249394692)
(1.0, -41260.584860745774, 3.678380933180847e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60331727 0.33333503 0.0633477 ], NP=0.2177583325878658), CompositionSet(BCC_A2, [ 0.27948222 0.1884501 0.53206768], NP=0.7822416674121342)])
('step', array([ -1.11727981e-05, 3.19549537e-06, 7.97730277e-06,
1.62299421e-07, -1.67557768e-06, 1.51327826e-06,
-1.10874923e-05, -6.31858889e-06, 1.74060812e-05,
0.00000000e+00, 3.17554760e-05, -3.17554760e-05]))
('conv_angle', 86.134076755194386)
('Site fractions', array([ 9.04975809e-01, 3.47205504e-06, 9.50207190e-02,
1.95030202e-07, 9.99998131e-01, 1.67363372e-06,
2.79482219e-01, 1.88450101e-01, 5.32067680e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.21775833, 0.78224167]))
('Chemical potentials', array([-40904.47431886, -38960.76824575, -42727.10952798]))
('Chem pot progress', array([-0.35203093, -0.03643847, 0.19783346]))
('Energy progress', -0.039584856684086844)
('Driving force', 0.0072545975344837643)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60331727 0.33333503 0.0633477 ], NP=0.2177583325878658), CompositionSet(BCC_A2, [ 0.27948222 0.1884501 0.53206768], NP=0.7822416674121342)])
('reduced_hessian eigenvalues', array([ 2.63455727e+03, 6.10934121e+03, 1.51284062e+08,
1.95898259e+08, 1.84464592e+09]))
('NEW_L_MULTIPLIERS', array([ -1730.70624747, -5110.73497632, 6670.7947251 , -21070.84545501,
-40907.03991782, -38961.03225128, -42725.6683817 ]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -1.42905046e-17, 1.11022302e-16,
0.00000000e+00, 1.17274968e-10, 2.50563181e-10,
-3.67838093e-10]))
('penalty', 10000)
('old_driving_force', -41260.584860744879, 3.678380933180847e-10)
('sublsum', -0.34359475775329956)
(1.0, -41260.867643894184, 1.9776518311864777e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60325719 0.33335177 0.06339104], NP=0.2179920249997159), CompositionSet(BCC_A2, [ 0.2794022 0.18840216 0.53219564], NP=0.7820079750002841)])
('step', array([ -9.04302100e-05, 3.13628277e-05, 5.90673823e-05,
6.19585848e-07, -1.25002349e-05, 1.18806491e-05,
-8.00199388e-05, -4.79448072e-05, 1.27964746e-04,
0.00000000e+00, 2.33692412e-04, -2.33692412e-04]))
('conv_angle', 85.03553218060874)
('Site fractions', array([ 9.04885379e-01, 3.48348828e-05, 9.50797864e-02,
8.14616049e-07, 9.99985631e-01, 1.35542828e-05,
2.79402199e-01, 1.88402156e-01, 5.32195645e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.21799202, 0.78200798]))
('Chemical potentials', array([-40907.03991782, -38961.03225128, -42725.6683817 ]))
('Chem pot progress', array([-2.56559895, -0.26400553, 1.44114629]))
('Energy progress', -0.2831070959728095)
('Driving force', 0.060431223449995741)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60325719 0.33335177 0.06339104], NP=0.2179920249997159), CompositionSet(BCC_A2, [ 0.2794022 0.18840216 0.53219564], NP=0.7820079750002841)])
('reduced_hessian eigenvalues', array([ 2.62341768e+03, 6.11422389e+03, 1.88991939e+07,
1.96467952e+07, 4.35173777e+08]))
('NEW_L_MULTIPLIERS', array([ -1738.40067504, -5138.54578643, 6655.71313695, -21041.44165475,
-40920.6701048 , -38962.44184566, -42718.01391238]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 6.10880162e-18, -1.11022302e-16,
0.00000000e+00, 4.65974737e-09, 1.51167709e-08,
-1.97765183e-08]))
('penalty', 10000)
('old_driving_force', -41260.867643657984, 1.9776518311864777e-08)
('sublsum', -1.8493359749771814)
(1.0, -41262.332057891777, 5.6687776611719087e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60288545 0.33348552 0.06362903], NP=0.21925082251604883), CompositionSet(BCC_A2, [ 0.27898451 0.18813153 0.53288396], NP=0.7807491774839511)])
('step', array([ -5.58330320e-04, 2.35462314e-04, 3.22868006e-04,
1.43068082e-06, -6.96527650e-05, 6.82220841e-05,
-4.17688118e-04, -2.70630679e-04, 6.88318797e-04,
0.00000000e+00, 1.25879752e-03, -1.25879752e-03]))
('conv_angle', 83.313533148342472)
('Site fractions', array([ 9.04327048e-01, 2.70297196e-04, 9.54026544e-02,
2.24529687e-06, 9.99915978e-01, 8.17763670e-05,
2.78984511e-01, 1.88131525e-01, 5.32883964e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.21925082, 0.78074918]))
('Chemical potentials', array([-40920.6701048 , -38962.44184566, -42718.01391238]))
('Chem pot progress', array([-13.63018698, -1.40959438, 7.65446932]))
('Energy progress', -1.4734057102614315)
('Driving force', 0.374329601872887)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60288545 0.33348552 0.06362903], NP=0.21925082251604883), CompositionSet(BCC_A2, [ 0.27898451 0.18813153 0.53288396], NP=0.7807491774839511)])
('reduced_hessian eigenvalues', array([ 2.58184675e+03, 6.13455100e+03, 2.52923273e+06,
3.19881014e+06, 1.57412006e+08]))
('NEW_L_MULTIPLIERS', array([ -1766.30257129, -5239.34222863, 6599.42889602, -20933.20649151,
-40969.84632106, -38967.55367015, -42690.47420576]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 9.38376980e-17, 0.00000000e+00,
0.00000000e+00, 5.78351985e-08, 5.09042568e-07,
-5.66877766e-07]))
('penalty', 10000)
('old_driving_force', -41262.332036833875, 5.6687776611719087e-07)
('sublsum', -6.8605260229504905)
(1.0, -41267.415632941855, 8.6080095149099201e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60120551 0.33425715 0.06453734], NP=0.22389487333309877), CompositionSet(BCC_A2, [ 0.27752957 0.18704959 0.53542084], NP=0.7761051266669012)])
('step', array([ -2.52075156e-03, 1.29309381e-03, 1.22765775e-03,
1.69936943e-06, -2.71321223e-04, 2.69621854e-04,
-1.45493999e-03, -1.08193414e-03, 2.53687413e-03,
0.00000000e+00, 4.64405082e-03, -4.64405082e-03]))
('conv_angle', 80.38377884472601)
('Site fractions', array([ 9.01806297e-01, 1.56339101e-03, 9.66303121e-02,
3.94466630e-06, 9.99644657e-01, 3.51398221e-04,
2.77529571e-01, 1.87049591e-01, 5.35420838e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.22389487, 0.77610513]))
('Chemical potentials', array([-40969.84632106, -38967.55367015, -42690.47420576]))
('Chem pot progress', array([-49.17621626, -5.11182448, 27.53970662]))
('Energy progress', -5.216164305958955)
('Driving force', 1.6241351493663387)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60120551 0.33425715 0.06453734], NP=0.22389487333309877), CompositionSet(BCC_A2, [ 0.27752957 0.18704959 0.53542084], NP=0.7761051266669012)])
('reduced_hessian eigenvalues', array([ 2.50563623e+03, 6.19733034e+03, 4.46705199e+05,
7.62541540e+05, 9.10782713e+07]))
('NEW_L_MULTIPLIERS', array([ -1826.67728833, -5458.55918081, 6468.66355057, -20689.43486229,
-41076.46515144, -38979.26980423, -42631.25074892]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 6.41305585e-17, -1.11022302e-16,
0.00000000e+00, -1.04488631e-06, 8.60800951e-06,
-7.56312320e-06]))
('penalty', 10000)
('old_driving_force', -41267.415195579517, 8.6080095149099201e-06)
('sublsum', -15.973341160899871)
(1.0, -41277.83878866912, 6.1874603730166511e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59598677 0.33726723 0.066746 ], NP=0.23441046351201142), CompositionSet(BCC_A2, [ 0.2746509 0.18417559 0.5411735 ], NP=0.7655895364879886)])
('step', array([ -7.82852273e-03, 4.85310025e-03, 2.97542248e-03,
8.27391952e-07, -6.75946914e-04, 6.75119522e-04,
-2.87866889e-03, -2.87399831e-03, 5.75266720e-03,
0.00000000e+00, 1.05155902e-02, -1.05155902e-02]))
('conv_angle', 75.019382516830817)
('Site fractions', array([ 8.93977774e-01, 6.41649125e-03, 9.96057346e-02,
4.77205825e-06, 9.98968710e-01, 1.02651774e-03,
2.74650902e-01, 1.84175593e-01, 5.41173505e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.23441046, 0.76558954]))
('Chemical potentials', array([-41076.46515144, -38979.26980423, -42631.25074892]))
('Chem pot progress', array([-106.61883037, -11.71613408, 59.22345684]))
('Energy progress', -11.331030767061748)
('Driving force', 4.5637012225415674)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59598677 0.33726723 0.066746 ], NP=0.23441046351201142), CompositionSet(BCC_A2, [ 0.2746509 0.18417559 0.5411735 ], NP=0.7655895364879886)])
('reduced_hessian eigenvalues', array([ 2.45843826e+03, 6.28706925e+03, 1.14119146e+05,
2.73379607e+05, 7.86152305e+07]))
('NEW_L_MULTIPLIERS', array([ -1886.63030261, -5677.92875864, 6311.1791332 , -20419.02182473,
-41180.5196719 , -38993.03593509, -42574.36771417]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -1.79977561e-17, 1.11022302e-16,
0.00000000e+00, -2.46072220e-05, 6.18746037e-05,
-3.72673817e-05]))
('penalty', 10000)
('old_driving_force', -41277.838377506145, 6.1874603730166511e-05)
('sublsum', -19.305049164359957)
(1.0, -41289.047346267274, 0.00013586803738091513)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58616808 0.34418768 0.06964425], NP=0.24623982951385298), CompositionSet(BCC_A2, [ 0.2727243 0.17961038 0.54766532], NP=0.7537601704861471)])
('step', array([ -1.47281575e-02, 1.08563620e-02, 3.87179553e-03,
2.25068247e-07, -9.51382958e-04, 9.51157889e-04,
-1.92660310e-03, -4.56520974e-03, 6.49181285e-03,
0.00000000e+00, 1.18293660e-02, -1.18293660e-02]))
('conv_angle', 65.98265041518043)
('Site fractions', array([ 8.79249617e-01, 1.72728532e-02, 1.03477530e-01,
4.99712650e-06, 9.98017327e-01, 1.97767563e-03,
2.72724299e-01, 1.79610383e-01, 5.47665318e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.24623983, 0.75376017]))
('Chemical potentials', array([-41180.5196719 , -38993.03593509, -42574.36771417]))
('Chem pot progress', array([-104.05452046, -13.76613086, 56.88303474]))
('Energy progress', -12.519671181507874)
('Driving force', 6.8632009636130533)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58616808 0.34418768 0.06964425], NP=0.24623982951385298), CompositionSet(BCC_A2, [ 0.2727243 0.17961038 0.54766532], NP=0.7537601704861471)])
('reduced_hessian eigenvalues', array([ 2.46876195e+03, 6.20966076e+03, 4.48677566e+04,
1.48945904e+05, 7.87252081e+07]))
('NEW_L_MULTIPLIERS', array([ -1901.23262527, -5724.25604192, 6235.77574433, -20322.0527039 ,
-41190.67563195, -38997.31275083, -42568.47677904]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 3.46944695e-18, 0.00000000e+00,
0.00000000e+00, -9.33584631e-05, 1.35868037e-04,
-4.25095743e-05]))
('penalty', 10000)
('old_driving_force', -41289.047462908391, 0.00013586803738091513)
('sublsum', -8.6934761817450461)
(1.0, -41295.84977351116, 5.0967876991186989e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57698193 0.35180172 0.07121635], NP=0.25076259715134713), CompositionSet(BCC_A2, [ 0.27396836 0.17595525 0.55007639], NP=0.7492374028486529)])
('step', array([ -1.37792849e-02, 1.17635686e-02, 2.01571628e-03,
1.27949071e-07, -6.85001657e-04, 6.84873708e-04,
1.24405676e-03, -3.65513356e-03, 2.41107680e-03,
0.00000000e+00, 4.52276764e-03, -4.52276764e-03]))
('conv_angle', 54.534398248061905)
('Site fractions', array([ 8.65470332e-01, 2.90364219e-02, 1.05493246e-01,
5.12507557e-06, 9.97332326e-01, 2.66254934e-03,
2.73968356e-01, 1.75955249e-01, 5.50076395e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.2507626, 0.7492374]))
('Chemical potentials', array([-41190.67563195, -38997.31275083, -42568.47677904]))
('Chem pot progress', array([-10.15596005, -4.27681574, 5.89093513]))
('Energy progress', -5.343865946153528)
('Driving force', 3.721160301087366)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57698193 0.35180172 0.07121635], NP=0.25076259715134713), CompositionSet(BCC_A2, [ 0.27396836 0.17595525 0.55007639], NP=0.7492374028486529)])
('reduced_hessian eigenvalues', array([ 2.47148053e+03, 5.89475765e+03, 2.76463681e+04,
1.12635569e+05, 7.81153523e+07]))
('NEW_L_MULTIPLIERS', array([ -1896.66323479, -5700.78432694, 6227.54253169, -20328.03902839,
-41170.53612121, -38995.90387593, -42578.97594073]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -1.17093835e-17, 1.11022302e-16,
0.00000000e+00, -4.71733893e-05, 5.09678770e-05,
-3.79448767e-06]))
('penalty', 10000)
('old_driving_force', -41295.848935108479, 5.0967876991186989e-05)
('sublsum', -0.87985593928227179)
(1.0, -41297.325667657147, 3.579334068026796e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57361413 0.35492147 0.0714644 ], NP=0.25068460710201323), CompositionSet(BCC_A2, [ 0.27519003 0.17486138 0.54994859], NP=0.7493153928979868)])
('step', array([ -5.05171933e-03, 4.79072059e-03, 2.60998746e-04,
3.52551515e-08, -2.22205131e-04, 2.22169876e-04,
1.22167418e-03, -1.09387097e-03, -1.27803210e-04,
0.00000000e+00, -7.79900493e-05, 7.79900493e-05]))
('conv_angle', 51.465274829225535)
('Site fractions', array([ 8.60418612e-01, 3.38271425e-02, 1.05754245e-01,
5.16033072e-06, 9.97110120e-01, 2.88471922e-03,
2.75190030e-01, 1.74861378e-01, 5.49948591e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.25068461, 0.74931539]))
('Chemical potentials', array([-41170.53612121, -38995.90387593, -42578.97594073]))
('Chem pot progress', array([ 20.13951074, 1.40887491, -10.49916169]))
('Energy progress', -0.5813877152759233)
('Driving force', 0.41332331431476632)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57361413 0.35492147 0.0714644 ], NP=0.25068460710201323), CompositionSet(BCC_A2, [ 0.27519003 0.17486138 0.54994859], NP=0.7493153928979868)])
('reduced_hessian eigenvalues', array([ 2.46513769e+03, 5.70879894e+03, 2.39837211e+04,
1.03934114e+05, 7.75531367e+07]))
('NEW_L_MULTIPLIERS', array([ -1895.70973567, -5696.59902908, 6227.93928622, -20330.83889239,
-41167.63759498, -38995.59916689, -42580.54590394]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 8.67361738e-19, -1.11022302e-16,
0.00000000e+00, 3.57933407e-07, -3.28620145e-07,
-2.93132619e-08]))
('penalty', 10000)
('old_driving_force', -41297.325668640515, 3.579334068026796e-07)
('sublsum', -0.0070592862343225983)
(1.0, -41297.33545709883, 4.5916881075136473e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57330833 0.35522094 0.07147074], NP=0.25058220796249014), CompositionSet(BCC_A2, [ 0.27533264 0.17478624 0.54988112], NP=0.7494177920375098)])
('step', array([ -4.58702218e-04, 4.58960467e-04, -2.58249060e-07,
2.38224251e-09, -1.95167165e-05, 1.95143343e-05,
1.42610125e-04, -7.51424809e-05, -6.74676441e-05,
0.00000000e+00, -1.02399140e-04, 1.02399140e-04]))
('conv_angle', 56.666414667336092)
('Site fractions', array([ 8.59959910e-01, 3.42861029e-02, 1.05753987e-01,
5.16271297e-06, 9.97090604e-01, 2.90423355e-03,
2.75332640e-01, 1.74786236e-01, 5.49881124e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.25058221, 0.74941779]))
('Chemical potentials', array([-41167.63759498, -38995.59916689, -42580.54590394]))
('Chem pot progress', array([ 2.89852623, 0.30470904, -1.56996321]))
('Energy progress', -0.0029484106635209173)
('Driving force', 0.003338216309202835)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57330833 0.35522094 0.07147074], NP=0.25058220796249014), CompositionSet(BCC_A2, [ 0.27533264 0.17478624 0.54988112], NP=0.7494177920375098)])
('reduced_hessian eigenvalues', array([ 2.46392663e+03, 5.68937726e+03, 2.36806822e+04,
1.03196052e+05, 7.74860854e+07]))
('NEW_L_MULTIPLIERS', array([ -1895.70180606, -5696.56543504, 6227.94320866, -20330.86149182,
-41167.61296253, -38995.59662721, -42580.55949068]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -4.46691295e-17, 0.00000000e+00,
0.00000000e+00, 4.59168811e-08, -3.83597983e-08,
-7.55708279e-09]))
('penalty', 10000)
('old_driving_force', -41297.335457099965, 4.5916881075136473e-08)
('sublsum', -4.3889843383308822e-07)
(1.0, -41297.336375596205, 3.0404567752384537e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5733059 0.35522332 0.07147077], NP=0.25058134310863306), CompositionSet(BCC_A2, [ 0.27533373 0.1747857 0.54988057], NP=0.7494186568913669)])
('step', array([ -3.63434616e-06, 3.65126619e-06, -1.69200258e-08,
1.69913376e-11, -1.46683306e-07, 1.46666314e-07,
1.09274442e-06, -5.38151143e-07, -5.54593280e-07,
0.00000000e+00, -8.64853857e-07, 8.64853857e-07]))
('conv_angle', 57.096667768056044)
('Site fractions', array([ 8.59956276e-01, 3.42897542e-02, 1.05753970e-01,
5.16272996e-06, 9.97090457e-01, 2.90438022e-03,
2.75333733e-01, 1.74785698e-01, 5.49880569e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.25058134, 0.74941866]))
('Chemical potentials', array([-41167.61296253, -38995.59662721, -42580.55949068]))
('Chem pot progress', array([ 0.02463245, 0.00253968, -0.01358674]))
('Energy progress', 7.241615821840242e-05)
('Driving force', 2.0823063096031547e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5733059 0.35522332 0.07147077], NP=0.25058134310863306), CompositionSet(BCC_A2, [ 0.27533373 0.1747857 0.54988057], NP=0.7494186568913669)])
('reduced_hessian eigenvalues', array([ 2.46487441e+03, 5.68996408e+03, 2.36789837e+04,
1.03190354e+05, 7.74855669e+07]))
('NEW_L_MULTIPLIERS', array([ -1895.70181094, -5696.56545075, 6227.94319817, -20330.86146959,
-41167.61295408, -38995.59663821, -42580.55949145]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -8.84708973e-17, 0.00000000e+00,
0.00000000e+00, 3.04045678e-12, -2.52839416e-12,
-5.12145881e-13]))
('penalty', 10000)
('old_driving_force', -41297.336375596205, 3.0404567752384537e-12)
('sublsum', -5.7460808800927372e-15)
(1.0, -41297.336375657003, 1.1319070680748666e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5733059 0.35522332 0.07147077], NP=0.25058134392081444), CompositionSet(BCC_A2, [ 0.27533373 0.1747857 0.54988057], NP=0.7494186560791856)])
('step', array([ -5.26874325e-10, 2.29595241e-10, 2.97279084e-10,
5.54374251e-14, 1.51616102e-11, -1.52169592e-11,
-2.09543726e-10, -2.45044555e-10, 4.54588281e-10,
0.00000000e+00, 8.12181394e-10, -8.12181318e-10]))
('conv_angle', 84.524174689188001)
('Site fractions', array([ 8.59956275e-01, 3.42897544e-02, 1.05753970e-01,
5.16273001e-06, 9.97090457e-01, 2.90438020e-03,
2.75333733e-01, 1.74785698e-01, 5.49880570e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.25058134, 0.74941866]))
('Chemical potentials', array([-41167.61295408, -38995.59663821, -42580.55949145]))
('Chem pot progress', array([ 8.45544855e-06, -1.10030669e-05, -7.68603059e-07]))
('Energy progress', 4.780304152518511e-09)
('Driving force', 1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.27533373 0.1747857 0.54988057], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.20149619 0.37617037 0.42233344], NP=1.0), 10.8646539800975), (CompositionSet(BCC_A2, [ 0.20149619 0.37617039 0.42233342], NP=1.0), 10.864653980090225), (CompositionSet(BCC_A2, [ 0.27533373 0.1747857 0.54988057], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.20149614 0.37617045 0.4223334 ], NP=1.0), 10.864653980075673), (CompositionSet(BCC_A2, [ 0.20149616 0.37617049 0.42233336], NP=1.0), 10.864653980082949), (CompositionSet(BCC_A2, [ 0.27533373 0.1747857 0.54988057], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.27533375 0.17478566 0.54988059], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.20149619 0.37617039 0.42233342], NP=1.0), 10.864653980104777), (CompositionSet(BCC_A2, [ 0.20149619 0.37617039 0.42233342], NP=1.0), 10.864653980090225)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57330591 0.35522332 0.07147077], NP=1.0), 7.275957614183426e-12), (CompositionSet(LAVES_C15, [ 0.57330591 0.35522332 0.07147077], NP=1.0), -7.275957614183426e-12)], 'HCP_A3': []})
Adding CompositionSet(LAVES_C15, [ 0.57330591 0.35522332 0.07147077], NP=0.25058133885480105)
Adding CompositionSet(BCC_A2, [ 0.27533375 0.17478566 0.54988059], NP=0.749418526724282)
Adding CompositionSet(BCC_A2, [ 0.20149619 0.37617037 0.42233344], NP=1.3442091701900393e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57330591 0.35522332 0.07147077], NP=0.25058133885480105), CompositionSet(BCC_A2, [ 0.27533375 0.17478566 0.54988059], NP=0.749418526724282), CompositionSet(BCC_A2, [ 0.20149619 0.37617037 0.42233344], NP=1.3442091701900393e-07)])
('reduced_hessian eigenvalues', array([ -2.19068775e+01, 2.23815985e-03, 5.80997908e+01,
2.99617147e+03, 5.85024647e+03, 2.36907348e+04,
1.03192725e+05, 7.75446772e+07]))
('reduced_hessian modified eigenvalues', array([ 2.23816292e-03, 2.19068775e+01, 5.80997908e+01,
2.99617147e+03, 5.85024647e+03, 2.36907348e+04,
1.03192725e+05, 7.75446772e+07]))
('NEW_L_MULTIPLIERS', array([ -1847.27794731, -5538.96858601, 4814.83308406, -17082.02221284,
1301.29186421, -3519.25426349, -41143.89605036, -39032.60652167,
-42589.32613723]))
('L_CONSTRAINTS', array([ -1.52655666e-16, 1.09287579e-16, -1.11022302e-16,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-5.55111512e-17, 0.00000000e+00, 5.55111512e-17]))
('penalty', 10000)
('old_driving_force', -41297.336377117448, 1.5265566588595902e-16)
('sublsum', -1.4680736767937879)
(1.0, -40939.181719317203, 0.015946676323140452)
(0.5, -41212.937913298527, 0.0039866690807850991)
(0.25, -41277.069513795832, 0.00099666727019620538)
(0.125, -41292.447568856354, 0.00024916681754905134)
(0.0625, -41296.171198250217, 6.2291704387207325e-05)
(0.03125, -41297.069440091058, 1.5572926096829587e-05)
(0, -41297.336377117448, 1.5265566588595902e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57330591 0.35522332 0.07147077], NP=0.25058133885480105), CompositionSet(BCC_A2, [ 0.27533375 0.17478566 0.54988059], NP=0.749418526724282), CompositionSet(BCC_A2, [ 0.20149619 0.37617037 0.42233344], NP=1.3442091701900393e-07)])
('step', array([ 8.36120234e-04, -3.38591828e-04, -4.97528406e-04,
1.30122265e-08, 4.64475239e-06, -4.65776462e-06,
1.58764063e-02, -3.45707207e-02, 1.86943143e-02,
0.00000000e+00, 1.32177035e-01, -3.18823673e-02,
-1.00294668e-01, 0.00000000e+00, -6.91524463e-03,
-1.28208665e-01, 1.35123910e-01]))
('conv_angle', 89.943553000891029)
('Site fractions', array([ 8.59956281e-01, 3.42897510e-02, 1.05753968e-01,
5.16273018e-06, 9.97090457e-01, 2.90438010e-03,
2.75333747e-01, 1.74785663e-01, 5.49880590e-01,
1.00000000e+00, 2.01496193e-01, 3.76170368e-01,
4.22333439e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.50581339e-01, 7.49418527e-01, 1.34420917e-07]))
('Chemical potentials', array([-41143.89605036, -39032.60652167, -42589.32613723]))
('Chem pot progress', array([-3.37258659, 6.78224745, -9.12233352]))
('Energy progress', 0.0)
('Driving force', 3.6109142836139654)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57330591 0.35522332 0.07147077], NP=0.25058133885480105), CompositionSet(BCC_A2, [ 0.27533375 0.17478566 0.54988059], NP=0.749418526724282), CompositionSet(BCC_A2, [ 0.20149619 0.37617037 0.42233344], NP=1.3442091701900393e-07)])
('reduced_hessian eigenvalues', array([ -1.79876511e+01, 1.69741793e-03, 5.09375326e+01,
2.99530658e+03, 5.84919962e+03, 2.36913010e+04,
1.03192939e+05, 7.75446772e+07]))
('reduced_hessian modified eigenvalues', array([ 1.69741821e-03, 1.79876511e+01, 5.09375326e+01,
2.99530658e+03, 5.84919962e+03, 2.36913010e+04,
1.03192939e+05, 7.75446772e+07]))
('NEW_L_MULTIPLIERS', array([ -1841.47669963, -5520.52915981, 4584.6045054 , -16559.06788415,
1508.77510682, -4079.2612722 , -41142.24199813, -39035.38293793,
-42588.63186307]))
('L_CONSTRAINTS', array([ -1.52655666e-16, 1.09287579e-16, -1.11022302e-16,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-5.55111512e-17, 0.00000000e+00, 5.55111512e-17]))
('penalty', 1000.0)
('old_driving_force', -41297.336377117455, 1.5265566588595902e-16)
('sublsum', -1.7018129586052291)
(1.0, -41129.908634344327, 0.03267742559711373)
(0.5, -41268.642358571335, 0.0081693563992784046)
(0.25, -41291.969981276467, 0.0020423390998195456)
(0.125, -41296.309479588796, 0.00051058477495491417)
(0.0625, -41297.159749959865, 0.00012764619373867303)
(0.03125, -41297.322240685033, 3.1911548434682135e-05)
(0, -41297.336377117455, 1.5265566588595902e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57330591 0.35522332 0.07147077], NP=0.25058133885480105), CompositionSet(BCC_A2, [ 0.27533375 0.17478566 0.54988059], NP=0.749418526724282), CompositionSet(BCC_A2, [ 0.20149619 0.37617037 0.42233344], NP=1.3442091701900393e-07)])
('step', array([ 8.74313199e-04, -3.63384104e-04, -5.10929095e-04,
1.54703549e-08, 3.90495031e-06, -3.92042066e-06,
1.83083095e-02, -4.01520902e-02, 2.18437807e-02,
0.00000000e+00, 1.73275264e-01, 1.45926124e-02,
-1.87867876e-01, 0.00000000e+00, -7.72195366e-03,
-1.48915703e-01, 1.56637657e-01]))
('conv_angle', 89.957523348795036)
('Site fractions', array([ 8.59956281e-01, 3.42897510e-02, 1.05753968e-01,
5.16273018e-06, 9.97090457e-01, 2.90438010e-03,
2.75333747e-01, 1.74785663e-01, 5.49880590e-01,
1.00000000e+00, 2.01496193e-01, 3.76170368e-01,
4.22333439e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.50581339e-01, 7.49418527e-01, 1.34420917e-07]))
('Chemical potentials', array([-41142.24199813, -39035.38293793, -42588.63186307]))
('Chem pot progress', array([ 1.65405223, -2.77641626, 0.69427416]))
('Energy progress', 0.0)
('Driving force', 3.3442696921338211)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57330591 0.35522332 0.07147077], NP=0.25058133885480105), CompositionSet(BCC_A2, [ 0.27533375 0.17478566 0.54988059], NP=0.749418526724282), CompositionSet(BCC_A2, [ 0.20149619 0.37617037 0.42233344], NP=1.3442091701900393e-07)])
('reduced_hessian eigenvalues', array([ -1.96688887e+01, 1.77303789e-03, 5.35629919e+01,
2.99595745e+03, 5.84865613e+03, 2.36911481e+04,
1.03192890e+05, 7.75446772e+07]))
('reduced_hessian modified eigenvalues', array([ 1.77303773e-03, 1.96688887e+01, 5.35629919e+01,
2.99595745e+03, 5.84865613e+03, 2.36911481e+04,
1.03192890e+05, 7.75446772e+07]))
('NEW_L_MULTIPLIERS', array([ -1844.22772586, -5529.28930182, 4682.04093148, -16781.30815181,
1420.44527558, -3840.32623914, -41143.07646844, -39034.00369126,
-42588.87814512]))
('L_CONSTRAINTS', array([ -1.52655666e-16, 1.09287579e-16, -1.11022302e-16,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-5.55111512e-17, 0.00000000e+00, 5.55111512e-17]))
('penalty', 100.0)
('old_driving_force', -41297.336377117455, 1.5265566588595902e-16)
('sublsum', -1.6021580960468447)
(1.0, -41214.45776626411, 0.027325481272521102)
(0.5, -41286.60140918137, 0.0068313703181302476)
(0.25, -41296.07984976899, 0.0017078425795326035)
(0.125, -41297.28307376981, 0.00042696064488312313)
(0.0625, -41297.393857255418, 0.00010674016122069752)
('alpha', 0.0625)
('Phases', [CompositionSet(LAVES_C15, [ 0.57334141 0.35520879 0.07144981], NP=0.25012268851438824), CompositionSet(BCC_A2, [ 0.27641231 0.17242426 0.55116342], NP=0.7406605983275015), CompositionSet(BCC_A2, [ 0.21138699 0.37664294 0.41197007], NP=0.00921671315811031)])
('step', array([ 8.51949917e-04, -3.50860085e-04, -5.01089832e-04,
1.44307891e-08, 4.13477458e-06, -4.14920537e-06,
1.72570730e-02, -3.77824350e-02, 2.05253620e-02,
0.00000000e+00, 1.58252775e-01, 7.56111624e-03,
-1.65813891e-01, 0.00000000e+00, -7.33840545e-03,
-1.40126854e-01, 1.47465260e-01]))
('conv_angle', 89.95359668680986)
('Site fractions', array([ 8.60009527e-01, 3.42678222e-02, 1.05722650e-01,
5.16363211e-06, 9.97090716e-01, 2.90412077e-03,
2.76412314e-01, 1.72424261e-01, 5.51163425e-01,
1.00000000e+00, 2.11386992e-01, 3.76642937e-01,
4.11970071e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.25012269, 0.7406606 , 0.00921671]))
('Chemical potentials', array([-41143.07646844, -39034.00369126, -42588.87814512]))
('Chem pot progress', array([-0.83447031, 1.37924666, -0.24628205]))
('Energy progress', 0.1283147245485452)
('Driving force', 3.3599731441499898)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57334141 0.35520879 0.07144981], NP=0.25012268851438824), CompositionSet(BCC_A2, [ 0.27641231 0.17242426 0.55116342], NP=0.7406605983275015), CompositionSet(BCC_A2, [ 0.21138699 0.37664294 0.41197007], NP=0.00921671315811031)])
('reduced_hessian eigenvalues', array([ -1.05399897e+02, 1.98676903e+01, 3.57375974e+02,
2.95718014e+03, 5.82478834e+03, 2.36504763e+04,
1.02998724e+05, 7.73723545e+07]))
('reduced_hessian modified eigenvalues', array([ 1.98676903e+01, 1.05399897e+02, 3.57375974e+02,
2.95718014e+03, 5.82478834e+03, 2.36504763e+04,
1.02998724e+05, 7.73723545e+07]))
('NEW_L_MULTIPLIERS', array([ -1864.94105806, -5597.32705459, 5709.9543931 , -19144.0458885 ,
495.55083468, -1329.76943293, -41152.94790836, -39018.09135981,
-42594.38598785]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 1.39211559e-16, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
8.16970279e-05, 2.50431333e-05, -1.06740161e-04]))
('penalty', 10000)
('old_driving_force', -41295.280581998595, 0.00010674016122069752)
('sublsum', -0.4526913517985775)
(1.0, -41253.3835890314, 0.0021867990105622626)
(0.5, -41286.398504632991, 0.00055922131929012076)
(0.25, -41294.419306168711, 0.00015545728813448623)
(0.125, -41295.524160713387, 9.7476257949702383e-05)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57338961 0.35519326 0.07141713], NP=0.24963409902685327), CompositionSet(BCC_A2, [ 0.27710204 0.17103469 0.55186327], NP=0.7359056548771283), CompositionSet(BCC_A2, [ 0.20627842 0.38189776 0.41182382], NP=0.014460246096018491)])
('step', array([ 5.78424080e-04, -1.90160433e-04, -3.88263647e-04,
4.84718731e-10, 7.74643349e-06, -7.74691821e-06,
5.51782575e-03, -1.11165673e-02, 5.59874156e-03,
0.00000000e+00, -4.08685492e-02, 4.20385552e-02,
-1.17000598e-03, 0.00000000e+00, -3.90871590e-03,
-3.80395476e-02, 4.19482635e-02]))
('conv_angle', 89.824097237560991)
('Site fractions', array([ 8.60081831e-01, 3.42440522e-02, 1.05674117e-01,
5.16369270e-06, 9.97091684e-01, 2.90315241e-03,
2.77102042e-01, 1.71034690e-01, 5.51863268e-01,
1.00000000e+00, 2.06278423e-01, 3.81897757e-01,
4.11823820e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.2496341 , 0.73590565, 0.01446025]))
('Chemical potentials', array([-41152.94790836, -39018.09135981, -42594.38598785]))
('Chem pot progress', array([ -9.87143992, 15.91233145, -5.50784274]))
('Energy progress', -0.005391582759330049)
('Driving force', 5.6241559890622739)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57338961 0.35519326 0.07141713], NP=0.24963409902685327), CompositionSet(BCC_A2, [ 0.27710204 0.17103469 0.55186327], NP=0.7359056548771283), CompositionSet(BCC_A2, [ 0.20627842 0.38189776 0.41182382], NP=0.014460246096018491)])
('reduced_hessian eigenvalues', array([ -2.08878182e+01, 3.86812017e+01, 3.97661696e+02,
2.97575462e+03, 5.83074350e+03, 2.36194456e+04,
1.02826349e+05, 7.72177791e+07]))
('reduced_hessian modified eigenvalues', array([ 2.08878182e+01, 3.86812017e+01, 3.97661696e+02,
2.97575462e+03, 5.83074350e+03, 2.36194456e+04,
1.02826349e+05, 7.72177791e+07]))
('NEW_L_MULTIPLIERS', array([ -1804.35297479, -5398.40416152, 3916.43914686, -15089.3688413 ,
2127.58312493, -5738.169764 , -41122.02779159, -39067.28545558,
-42596.34979959]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 1.19262239e-16, 0.00000000e+00,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
4.13947818e-05, 5.60814762e-05, -9.74762579e-05]))
('penalty', 10000)
('old_driving_force', -41295.522873192385, 9.7476257949702383e-05)
('sublsum', -2.2033496819698386)
(1.0, -40882.076202851953, 0.019154468294138138)
(0.5, -41199.15535993292, 0.0047679196826480585)
(0.25, -41274.207910914076, 0.001166108182053871)
(0.125, -41292.426066539592, 0.00026306813304455279)
(0.0625, -41296.251680074267, 6.7553425108335396e-05)
('alpha', 0.0625)
('Phases', [CompositionSet(LAVES_C15, [ 0.57345137 0.35516764 0.07138099], NP=0.24887600655275086), CompositionSet(BCC_A2, [ 0.27870642 0.16757998 0.5537136 ], NP=0.7237878175857343), CompositionSet(BCC_A2, [ 0.20198097 0.37980812 0.41821091], NP=0.027336175861514878)])
('step', array([ 1.48217222e-03, -6.18020492e-04, -8.64151730e-04,
2.68307260e-08, 6.36189206e-06, -6.38872278e-06,
2.56700635e-02, -5.52753906e-02, 2.96053271e-02,
0.00000000e+00, -6.87592696e-02, -3.34341888e-02,
1.02193458e-01, 0.00000000e+00, -1.21294796e-02,
-1.93885397e-01, 2.06014876e-01]))
('conv_angle', 89.955308509375371)
('Site fractions', array([ 8.60174466e-01, 3.42054259e-02, 1.05620108e-01,
5.16536962e-06, 9.97092082e-01, 2.90275311e-03,
2.78706421e-01, 1.67579978e-01, 5.53713600e-01,
1.00000000e+00, 2.01980969e-01, 3.79808120e-01,
4.18210911e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.24887601, 0.72378782, 0.02733618]))
('Chemical potentials', array([-41122.02779159, -39067.28545558, -42596.34979959]))
('Chem pot progress', array([ 30.92011678, -49.19409577, -1.96381174]))
('Energy progress', -0.2039912367836223)
('Driving force', 6.3401925309881335)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57345137 0.35516764 0.07138099], NP=0.24887600655275086), CompositionSet(BCC_A2, [ 0.27870642 0.16757998 0.5537136 ], NP=0.7237878175857343), CompositionSet(BCC_A2, [ 0.20198097 0.37980812 0.41821091], NP=0.027336175861514878)])
('reduced_hessian eigenvalues', array([ 3.88032940e+00, 1.15056314e+02, 6.61461697e+02,
3.04298970e+03, 5.82848734e+03, 2.35553092e+04,
1.02508515e+05, 7.69438788e+07]))
('NEW_L_MULTIPLIERS', array([ -1705.14824231, -5046.96540642, 93.69342378, -5802.21116451,
5754.02825027, -15593.59297724, -41020.68592047, -39229.13481783,
-42602.05626212]))
('L_CONSTRAINTS', array([ -6.93889390e-17, 1.40946282e-16, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-3.60145339e-05, 6.75534251e-05, -3.15388912e-05]))
('penalty', 10000)
('old_driving_force', -41296.237276790744, 6.7553425108335396e-05)
('sublsum', -5.4732252879771153)
(1.0, -34567.234547931075, 0.29002953148899469)
(0.5, -39726.716526600409, 0.077181706052181581)
(0.25, -40915.7055125201, 0.019253205622352665)
(0.125, -41203.376112162034, 0.0047668584258261648)
(0.0625, -41275.210629263456, 0.0011431605821599355)
(0.03125, -41293.07892170416, 0.00023618059897603794)
(0, -41296.237276790744, 6.7553425108335396e-05)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57345137 0.35516764 0.07138099], NP=0.24887600655275086), CompositionSet(BCC_A2, [ 0.27870642 0.16757998 0.5537136 ], NP=0.7237878175857343), CompositionSet(BCC_A2, [ 0.20198097 0.37980812 0.41821091], NP=0.027336175861514878)])
('step', array([ 4.48520331e-03, -2.01460009e-03, -2.47060321e-03,
1.10040063e-07, 4.30465748e-06, -4.41469755e-06,
6.28369269e-02, -1.34697741e-01, 7.18608139e-02,
0.00000000e+00, 1.99468360e-01, -6.69837652e-01,
4.70369291e-01, 0.00000000e+00, -2.66975954e-02,
-5.43810486e-01, 5.70508081e-01]))
('conv_angle', 89.989100692287224)
('Site fractions', array([ 8.60174466e-01, 3.42054259e-02, 1.05620108e-01,
5.16536962e-06, 9.97092082e-01, 2.90275311e-03,
2.78706421e-01, 1.67579978e-01, 5.53713600e-01,
1.00000000e+00, 2.01980969e-01, 3.79808120e-01,
4.18210911e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.24887601, 0.72378782, 0.02733618]))
('Chemical potentials', array([-41020.68592047, -39229.13481783, -42602.05626212]))
('Chem pot progress', array([ 101.34187112, -161.84936225, -5.70646253]))
('Energy progress', 0.0)
('Driving force', 8.9455795039611985)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57345137 0.35516764 0.07138099], NP=0.24887600655275086), CompositionSet(BCC_A2, [ 0.27870642 0.16757998 0.5537136 ], NP=0.7237878175857343), CompositionSet(BCC_A2, [ 0.20198097 0.37980812 0.41821091], NP=0.027336175861514878)])
('reduced_hessian eigenvalues', array([ -8.62347572e+01, 2.40487363e+02, 6.70266020e+02,
3.09070405e+03, 5.78295154e+03, 2.35476030e+04,
1.02506127e+05, 7.69438819e+07]))
('reduced_hessian modified eigenvalues', array([ 8.62347572e+01, 2.40487363e+02, 6.70266020e+02,
3.09070405e+03, 5.78295154e+03, 2.35476030e+04,
1.02506127e+05, 7.69438819e+07]))
('NEW_L_MULTIPLIERS', array([ -1866.9667506 , -5600.25373013, 5616.31995222, -18913.90737624,
580.03711485, -1560.91249974, -41146.3784627 , -39028.61040222,
-42592.08408421]))
('L_CONSTRAINTS', array([ -6.93889390e-17, 1.40946282e-16, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-3.60145339e-05, 6.75534251e-05, -3.15388912e-05]))
('penalty', 1000.0)
('old_driving_force', -41297.470996800672, 6.7553425108335396e-05)
('sublsum', -0.29959012704600452)
(1.0, -41296.885655153419, 0.000471749963403989)
(0.5, -41297.571810607486, 8.4160778296787919e-05)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 0.57363426 0.35509951 0.07126623], NP=0.24761523926153461), CompositionSet(BCC_A2, [ 0.28073962 0.16350803 0.55575235], NP=0.7087118083256582), CompositionSet(BCC_A2, [ 0.20658786 0.36882602 0.42458613], NP=0.043672952412807164)])
('step', array([ 5.48686909e-04, -2.06714357e-04, -3.41972551e-04,
5.74502286e-09, 4.60915423e-06, -4.61489925e-06,
4.06639978e-03, -8.14390534e-03, 4.07750556e-03,
0.00000000e+00, 9.21377896e-03, -2.19642095e-02,
1.27504305e-02, 0.00000000e+00, -2.52153458e-03,
-3.01520185e-02, 3.26735531e-02]))
('conv_angle', 89.768057014178481)
('Site fractions', array([ 8.60448810e-01, 3.41020687e-02, 1.05449122e-01,
5.16824213e-06, 9.97094386e-01, 2.90044566e-03,
2.80739621e-01, 1.63508026e-01, 5.55752353e-01,
1.00000000e+00, 2.06587858e-01, 3.68826015e-01,
4.24586127e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.24761524, 0.70871181, 0.04367295]))
('Chemical potentials', array([-41146.3784627 , -39028.61040222, -42592.08408421]))
('Chem pot progress', array([-125.69254223, 200.52441561, 9.9721779 ]))
('Energy progress', -0.5844664948817808)
('Driving force', 4.3827744810769218)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57363426 0.35509951 0.07126623], NP=0.24761523926153461), CompositionSet(BCC_A2, [ 0.28073962 0.16350803 0.55575235], NP=0.7087118083256582), CompositionSet(BCC_A2, [ 0.20658786 0.36882602 0.42458613], NP=0.043672952412807164)])
('reduced_hessian eigenvalues', array([ 4.48594877e+01, 8.77534221e+01, 1.03497636e+03,
3.06721446e+03, 5.84424103e+03, 2.34898151e+04,
1.02048778e+05, 7.64899437e+07]))
('NEW_L_MULTIPLIERS', array([ -1856.04331244, -5562.26272853, 5046.09279494, -17603.39011774,
1089.86963064, -2955.09101388, -41139.66434378, -39040.46751813,
-42581.95392044]))
('L_CONSTRAINTS', array([ -6.93889390e-17, 8.63024929e-17, 0.00000000e+00,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
2.63713267e-05, -8.41607783e-05, 5.77894516e-05]))
('penalty', 10000)
('old_driving_force', -41296.058676979075, 8.4160778296787919e-05)
('sublsum', -0.53372467711148386)
(1.0, -41284.205060545202, 0.00068331475499849859)
(0.5, -41293.93085300309, 0.00019972341454610465)
(0.25, -41296.135695467252, 8.6049260882237188e-05)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 0.57369878 0.35506223 0.07123899], NP=0.2468895111418859), CompositionSet(BCC_A2, [ 0.28282428 0.15900161 0.55817411], NP=0.6920241336163508), CompositionSet(BCC_A2, [ 0.20667497 0.36396667 0.42935836], NP=0.06108635524176326)])
('step', array([ 3.87108376e-04, -2.21388650e-04, -1.65719726e-04,
1.90167617e-08, -4.54288081e-06, 4.52386405e-06,
8.33863980e-03, -1.80256575e-02, 9.68701769e-03,
0.00000000e+00, 3.48443705e-04, -1.94373839e-02,
1.90889402e-02, 0.00000000e+00, -2.90291248e-03,
-6.67506988e-02, 6.96536113e-02]))
('conv_angle', 89.901602607976002)
('Site fractions', array([ 8.60545587e-01, 3.40467215e-02, 1.05407692e-01,
5.17299632e-06, 9.97093250e-01, 2.90157663e-03,
2.82824281e-01, 1.59001611e-01, 5.58174108e-01,
1.00000000e+00, 2.06674969e-01, 3.63966669e-01,
4.29358362e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.24688951, 0.69202413, 0.06108636]))
('Chemical potentials', array([-41139.66434378, -39040.46751813, -42581.95392044]))
('Chem pot progress', array([ 6.71411892, -11.85711591, 10.13016377]))
('Energy progress', -0.13108906735578785)
('Driving force', 0.16887941439199494)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57369878 0.35506223 0.07123899], NP=0.2468895111418859), CompositionSet(BCC_A2, [ 0.28282428 0.15900161 0.55817411], NP=0.6920241336163508), CompositionSet(BCC_A2, [ 0.20667497 0.36396667 0.42935836], NP=0.06108635524176326)])
('reduced_hessian eigenvalues', array([ 5.24431452e+01, 1.25694178e+02, 1.41424855e+03,
3.14235549e+03, 5.85782213e+03, 2.34337329e+04,
1.01682012e+05, 7.61703354e+07]))
('NEW_L_MULTIPLIERS', array([ -1861.04813613, -5577.71620386, 5197.63515019, -17935.07859684,
954.72519014, -2593.63639921, -41140.3849039 , -39039.27952581,
-42582.080587 ]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 4.29344060e-17, 0.00000000e+00,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
-1.35395582e-05, -7.25097027e-05, 8.60492609e-05]))
('penalty', 10000)
('old_driving_force', -41296.135608182783, 8.6049260882237188e-05)
('sublsum', -0.20076859670447803)
(1.0, -41293.662008361898, 0.00021387278777890151)
(0.5, -41295.999766509347, 9.6492827385830093e-05)
(0.25, -41296.342137255269, 7.7903994897876583e-05)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 0.57374404 0.35503603 0.07121992], NP=0.24651478600614102), CompositionSet(BCC_A2, [ 0.28396346 0.15659773 0.55943881], NP=0.6828199724655312), CompositionSet(BCC_A2, [ 0.20736738 0.36066431 0.43196832], NP=0.07066524152832783)])
('step', array([ 2.71564752e-04, -1.55560373e-04, -1.16004379e-04,
1.34466611e-08, -3.24466708e-06, 3.23122042e-06,
4.55670345e-03, -9.61552435e-03, 5.05882091e-03,
0.00000000e+00, 2.76962639e-03, -1.32094438e-02,
1.04398174e-02, 0.00000000e+00, -1.49890054e-03,
-3.68166446e-02, 3.83155451e-02]))
('conv_angle', 89.878953879060447)
('Site fractions', array([ 8.60613478e-01, 3.40078314e-02, 1.05378691e-01,
5.17635798e-06, 9.97092439e-01, 2.90238443e-03,
2.83963457e-01, 1.56597730e-01, 5.59438813e-01,
1.00000000e+00, 2.07367376e-01, 3.60664308e-01,
4.31968316e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.24651479, 0.68281997, 0.07066524]))
('Chemical potentials', array([-41140.3849039 , -39039.27952581, -42582.080587 ]))
('Chem pot progress', array([-0.72056012, 1.18799232, -0.12666656]))
('Energy progress', -0.013748194694926497)
('Driving force', 0.17064729592675576)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57374404 0.35503603 0.07121992], NP=0.24651478600614102), CompositionSet(BCC_A2, [ 0.28396346 0.15659773 0.55943881], NP=0.6828199724655312), CompositionSet(BCC_A2, [ 0.20736738 0.36066431 0.43196832], NP=0.07066524152832783)])
('reduced_hessian eigenvalues', array([ 5.98698794e+01, 1.37760664e+02, 1.60853151e+03,
3.19361232e+03, 5.87238437e+03, 2.34115257e+04,
1.01482098e+05, 7.59906740e+07]))
('NEW_L_MULTIPLIERS', array([ -1862.04543826, -5580.83659838, 5235.59586997, -18025.81468219,
919.12632143, -2497.3210106 , -41140.65453046, -39038.87788187,
-42581.89552437]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -3.46944695e-18, 0.00000000e+00,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
-1.40243036e-05, -6.38796913e-05, 7.79039949e-05]))
('penalty', 10000)
('old_driving_force', -41296.342129796823, 7.7903994897876583e-05)
('sublsum', -0.09606935211549418)
(1.0, -41296.978759039877, 4.8272667315940598e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.573873 0.35495978 0.07116723], NP=0.245527899464297), CompositionSet(BCC_A2, [ 0.28702596 0.15019259 0.56278145], NP=0.6587648224874495), CompositionSet(BCC_A2, [ 0.2087146 0.35418059 0.43710481], NP=0.09570727804825341)])
('step', array([ 1.93422093e-04, -1.13108042e-04, -8.03140513e-05,
1.00649732e-08, -2.55832635e-06, 2.54826138e-06,
3.06250061e-03, -6.40513613e-03, 3.34263552e-03,
0.00000000e+00, 1.34722120e-03, -6.48371494e-03,
5.13649374e-03, 0.00000000e+00, -9.86886542e-04,
-2.40551500e-02, 2.50420365e-02]))
('conv_angle', 89.86182970003442)
('Site fractions', array([ 8.60806900e-01, 3.38947234e-02, 1.05298376e-01,
5.18642296e-06, 9.97089881e-01, 2.90493269e-03,
2.87025957e-01, 1.50192594e-01, 5.62781448e-01,
1.00000000e+00, 2.08714597e-01, 3.54180593e-01,
4.37104810e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.2455279 , 0.65876482, 0.09570728]))
('Chemical potentials', array([-41140.65453046, -39038.87788187, -42581.89552437]))
('Chem pot progress', array([-0.26962656, 0.40164393, 0.18506263]))
('Energy progress', 0.11570076210045954)
('Driving force', 0.053082765116414521)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.573873 0.35495978 0.07116723], NP=0.245527899464297), CompositionSet(BCC_A2, [ 0.28702596 0.15019259 0.56278145], NP=0.6587648224874495), CompositionSet(BCC_A2, [ 0.2087146 0.35418059 0.43710481], NP=0.09570727804825341)])
('reduced_hessian eigenvalues', array([ 7.12576717e+01, 1.82558206e+02, 2.04614095e+03,
3.38232285e+03, 5.91705999e+03, 2.33595020e+04,
1.00948697e+05, 7.55016465e+07]))
('NEW_L_MULTIPLIERS', array([ -1862.74784488, -5582.93398267, 5262.35004313, -18089.17231786,
894.24033611, -2430.08679419, -41140.66041492, -39038.89207373,
-42581.76341652]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -4.38017678e-17, 0.00000000e+00,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-4.00590096e-05, -8.21365775e-06, 4.82726673e-05]))
('penalty', 10000)
('old_driving_force', -41296.978765769367, 4.8272667315940598e-05)
('sublsum', -0.0014130150885642162)
(1.0, -41297.899887607447, 2.2521695123567387e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.573872 0.35495961 0.0711684 ], NP=0.2456204832863304), CompositionSet(BCC_A2, [ 0.28678008 0.15076799 0.56245193], NP=0.6612526884067795), CompositionSet(BCC_A2, [ 0.20843923 0.35560812 0.43595265], NP=0.09312682830689009)])
('step', array([ -1.49814284e-06, -1.99390402e-07, 1.69753324e-06,
1.81002071e-10, -1.08670170e-07, 1.08489168e-07,
-2.45880156e-04, 5.75399280e-04, -3.29519123e-04,
0.00000000e+00, -2.75365777e-04, 1.42753027e-03,
-1.15216449e-03, 0.00000000e+00, 9.25838220e-05,
2.48786592e-03, -2.58044974e-03]))
('conv_angle', 89.823839064512356)
('Site fractions', array([ 8.60805402e-01, 3.38945240e-02, 1.05300074e-01,
5.18660396e-06, 9.97089772e-01, 2.90504118e-03,
2.86780077e-01, 1.50767993e-01, 5.62451929e-01,
1.00000000e+00, 2.08439231e-01, 3.55608124e-01,
4.35952645e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.24562048, 0.66125269, 0.09312683]))
('Chemical potentials', array([-41140.66041492, -39038.89207373, -42581.76341652]))
('Chem pot progress', array([-0.00588446, -0.01419186, 0.13210784]))
('Energy progress', 0.0782803835318191)
('Driving force', 0.0007395500288112089)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.573872 0.35495961 0.0711684 ], NP=0.2456204832863304), CompositionSet(BCC_A2, [ 0.28678008 0.15076799 0.56245193], NP=0.6612526884067795), CompositionSet(BCC_A2, [ 0.20843923 0.35560812 0.43595265], NP=0.09312682830689009)])
('reduced_hessian eigenvalues', array([ 7.10137554e+01, 1.81059520e+02, 2.00929024e+03,
3.35899954e+03, 5.91419823e+03, 2.33713458e+04,
1.00986386e+05, 7.55316569e+07]))
('NEW_L_MULTIPLIERS', array([ -1862.76406815, -5582.98570998, 5262.59017207, -18089.62254569,
894.02714754, -2429.54527331, -41140.66636905, -39038.8828144 ,
-42581.76158802]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 2.08166817e-17, -1.11022302e-16,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
9.87582239e-08, -2.25216951e-06, 2.15341129e-06]))
('penalty', 10000)
('old_driving_force', -41297.899887589941, 2.2521695123567387e-06)
('sublsum', -2.6682007644912171e-07)
(1.0, -41297.944927379111, 1.8673690371784346e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.2456227538766353), CompositionSet(BCC_A2, [ 0.28677634 0.15077562 0.56244803], NP=0.6612714895350152), CompositionSet(BCC_A2, [ 0.20844033 0.35561935 0.43594032], NP=0.09310575658834934)])
('step', array([ -2.09218826e-07, 8.64789834e-08, 1.22739842e-07,
-3.77214995e-12, -8.91140303e-10, 8.94912432e-10,
-3.73440861e-06, 7.62934327e-06, -3.89493465e-06,
0.00000000e+00, 1.09790469e-06, 1.12304494e-05,
-1.23283540e-05, 0.00000000e+00, 2.27059030e-06,
1.88011282e-05, -2.10717185e-05]))
('conv_angle', 89.503461940794224)
('Site fractions', array([ 8.60805193e-01, 3.38946105e-02, 1.05300197e-01,
5.18660019e-06, 9.97089771e-01, 2.90504208e-03,
2.86776343e-01, 1.50775623e-01, 5.62448034e-01,
1.00000000e+00, 2.08440329e-01, 3.55619354e-01,
4.35940317e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.24562275, 0.66127149, 0.09310576]))
('Chemical potentials', array([-41140.66636905, -39038.8828144 , -42581.76158802]))
('Chem pot progress', array([-0.00595413, 0.00925933, 0.0018285 ]))
('Energy progress', 0.007836245174985379)
('Driving force', 6.9092493504285812e-08)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.2456227538766353), CompositionSet(BCC_A2, [ 0.28677634 0.15077562 0.56244803], NP=0.6612714895350152), CompositionSet(BCC_A2, [ 0.20844033 0.35561935 0.43594032], NP=0.09310575658834934)])
('reduced_hessian eigenvalues', array([ 7.08705987e+01, 1.80473143e+02, 2.00980245e+03,
3.35950392e+03, 5.91570639e+03, 2.33716460e+04,
1.00986382e+05, 7.55324283e+07]))
('NEW_L_MULTIPLIERS', array([ -1862.76408057, -5582.98574768, 5262.5910368 , -18089.62466583,
894.02637376, -2429.54318801, -41140.66637034, -39038.88281234,
-42581.76158786]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 8.63024929e-17, 1.11022302e-16,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
-9.36625777e-11, -9.30744093e-11, 1.86736904e-10]))
('penalty', 10000)
('old_driving_force', -41297.944927379111, 1.8673690371784346e-10)
('sublsum', -1.4122480846566182e-12)
(1.0, -41297.944931113831, 8.0491169285323849e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.2456227555385919), CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=0.661271568908222), CompositionSet(BCC_A2, [ 0.20844033 0.35561937 0.43594031], NP=0.09310567555318608)])
('step', array([ -3.31449258e-11, 1.25640408e-11, 2.05808712e-11,
5.34655781e-15, -1.29688114e-12, 1.29144828e-12,
-9.76999805e-09, 2.29592028e-08, -1.31892048e-08,
0.00000000e+00, -2.85053550e-09, 1.25562292e-08,
-9.70569360e-09, 0.00000000e+00, 1.66195660e-09,
7.93732068e-08, -8.10351633e-08]))
('conv_angle', 89.807777199689525)
('Site fractions', array([ 8.60805193e-01, 3.38946105e-02, 1.05300197e-01,
5.18660019e-06, 9.97089771e-01, 2.90504208e-03,
2.86776333e-01, 1.50775646e-01, 5.62448021e-01,
1.00000000e+00, 2.08440326e-01, 3.55619367e-01,
4.35940307e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.24562276, 0.66127157, 0.09310568]))
('Chemical potentials', array([-41140.66637034, -39038.88281234, -42581.76158786]))
('Chem pot progress', array([ -1.29445107e-06, 2.05824472e-06, 1.61257049e-07]))
('Energy progress', 4.647226887755096e-07)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.20844033 0.35561937 0.43594031], NP=1.0), 2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.20844031 0.35561943 0.43594027], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.28677633 0.15077564 0.56244802], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.20844034 0.35561934 0.43594033], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.20844033 0.35561937 0.43594031], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.28677641 0.15077556 0.56244804], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.20844031 0.3556194 0.43594029], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.20844033 0.35561934 0.43594032], NP=1.0), 1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=1.0), -7.275957614183426e-12), (CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=1.0), 2.1827872842550278e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.17786222283848113), CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=0.8221377771615188)])
('reduced_hessian eigenvalues', array([ 2.67459404e+03, 4.28842938e+03, 9.89119681e+13,
2.97010013e+14, 3.89670171e+14]))
('NEW_L_MULTIPLIERS', array([ -1888.78516831, -5538.78120227, 7045.04555276, -20264.13054046,
-40835.91643564, -39129.78367631, -42680.25314987]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 0.00000000e+00,
0.00000000e+00, -5.03021851e-02, 1.05864730e-01,
-5.55625447e-02]))
('penalty', 10000)
('old_driving_force', -39088.321520010228, 0.10586472974202613)
('sublsum', -17.555650724119531)
(1.0, -41069.820540906432, 0.0075524263346861409)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60834318 0.33333333 0.05832348], NP=0.23661420980398556), CompositionSet(BCC_A2, [ 0.26865053 0.20786478 0.52348469], NP=0.7633857901960144)])
('step', array([ 2.36258845e-02, 4.61567486e-11, -2.36258845e-02,
2.94928673e-11, -7.06408248e-11, 4.11481647e-11,
3.23179034e-02, -1.28547590e-01, 9.62296867e-02,
0.00000000e+00, 5.87519870e-02, -5.87519870e-02]))
('conv_angle', 89.760607123431186)
('Site fractions', array([ 9.12514773e-01, 4.71567486e-11, 8.74852266e-02,
3.04928673e-11, 1.00000000e+00, 4.21481647e-11,
2.68650529e-01, 2.07864785e-01, 5.23484687e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.23661421, 0.76338579]))
('Chemical potentials', array([-40835.91643564, -39129.78367631, -42680.25314987]))
('Chem pot progress', array([ -8.39534177, -44.49926704, 13.5842068 ]))
('Energy progress', 14.809869967823033)
('Driving force', -2.7417466279730434)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60834318 0.33333333 0.05832348], NP=0.23661420980398556), CompositionSet(BCC_A2, [ 0.26865053 0.20786478 0.52348469], NP=0.7633857901960144)])
('reduced_hessian eigenvalues', array([ 2.69331374e+03, 7.15845932e+03, 5.13585944e+12,
1.55406906e+13, 1.62584709e+13]))
('NEW_L_MULTIPLIERS', array([ -1814.54240379, -5359.06503747, 6686.72918292, -20714.35972389,
-40902.65111267, -38966.51575404, -42729.82814913]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -9.10330445e-18, 0.00000000e+00,
0.00000000e+00, -9.73362598e-04, 7.55242633e-03,
-6.57906374e-03]))
('penalty', 10000)
('old_driving_force', -41071.444723980654, 0.0075524263346861409)
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2.69200176e-01, 1.86785976e-01, 5.44013847e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.26231572, 0.73768428]))
('Chemical potentials', array([-41193.13696303, -38993.81261098, -42568.42006764]))
('Chem pot progress', array([-12.96124319, -1.95549274, 6.52328861]))
('Energy progress', -5.684532312647207)
('Driving force', 3.96222310270241)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57702735 0.35174381 0.07122885], NP=0.2623157201728742), CompositionSet(BCC_A2, [ 0.26920018 0.18678598 0.54401385], NP=0.7376842798271258)])
('reduced_hessian eigenvalues', array([ 2.46969928e+03, 6.15377917e+03, 2.88192248e+04,
1.17919147e+05, 8.16653692e+07]))
('NEW_L_MULTIPLIERS', array([ -1984.77583454, -5967.14484296, 6233.88110712, -19941.1456535 ,
-41173.17439393, -38991.85497903, -42578.98064503]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 5.76795556e-17, 0.00000000e+00,
0.00000000e+00, -5.19182310e-05, 5.70090355e-05,
-5.09080450e-06]))
('penalty', 10000)
('old_driving_force', -41259.807991125977, 5.7009035545091402e-05)
('sublsum', -0.96115046216302436)
(1.0, -41261.449265294221, 3.4390105363435453e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57357654 0.35493306 0.07149039], NP=0.2623886137976935), CompositionSet(BCC_A2, [ 0.27046722 0.18555832 0.54397446], NP=0.7376113862023066)])
('step', array([ -5.17622217e-03, 4.89737254e-03, 2.78849635e-04,
3.58635250e-08, -2.26982970e-04, 2.26947107e-04,
1.26704533e-03, -1.22765918e-03, -3.93861489e-05,
0.00000000e+00, 7.28936248e-05, -7.28936248e-05]))
('conv_angle', 51.140870355614211)
('Site fractions', array([ 8.60362235e-01, 3.38440319e-02, 1.05793733e-01,
5.15769285e-06, 9.97111125e-01, 2.88371744e-03,
2.70467222e-01, 1.85558317e-01, 5.43974461e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.26238861, 0.73761139]))
('Chemical potentials', array([-41173.17439393, -38991.85497903, -42578.98064503]))
('Chem pot progress', array([ 19.9625691 , 1.95763195, -10.56057739]))
('Energy progress', -0.6388116092566634)
('Driving force', 0.45341065183311002)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57357654 0.35493306 0.07149039], NP=0.2623886137976935), CompositionSet(BCC_A2, [ 0.27046722 0.18555832 0.54397446], NP=0.7376113862023066)])
('reduced_hessian eigenvalues', array([ 2.45990710e+03, 5.96233872e+03, 2.49275147e+04,
1.08674199e+05, 8.11135331e+07]))
('NEW_L_MULTIPLIERS', array([ -1983.85159728, -5962.94310277, 6234.15313783, -19943.74525898,
-41170.16812882, -38991.50458519, -42580.61688439]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 9.10729825e-18, 0.00000000e+00,
0.00000000e+00, -3.43901054e-07, 3.21964815e-07,
2.19362388e-08]))
('penalty', 10000)
('old_driving_force', -41261.44926433728, 3.4390105363435453e-07)
('sublsum', -0.0080175832753787788)
(1.0, -41261.45927840424, 4.4737509141690168e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57325692 0.35524572 0.07149736], NP=0.2622939677070872), CompositionSet(BCC_A2, [ 0.27062028 0.18546839 0.54391133], NP=0.7377060322929129)])
('step', array([ -4.79436788e-04, 4.79143071e-04, 2.93716207e-07,
2.60584584e-09, -2.03228096e-05, 2.03202038e-05,
1.53058404e-04, -8.99230608e-05, -6.31353431e-05,
0.00000000e+00, -9.46460906e-05, 9.46460906e-05]))
('conv_angle', 55.713621633905419)
('Site fractions', array([ 8.59882798e-01, 3.43231750e-02, 1.05794027e-01,
5.16029869e-06, 9.97090802e-01, 2.90403765e-03,
2.70620280e-01, 1.85468394e-01, 5.43911326e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.26229397, 0.73770603]))
('Chemical potentials', array([-41170.16812882, -38991.50458519, -42580.61688439]))
('Chem pot progress', array([ 3.00626511, 0.35039384, -1.63623936]))
('Energy progress', -0.0047749629156896845)
('Driving force', 0.0038179711118573323)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57325692 0.35524572 0.07149736], NP=0.2622939677070872), CompositionSet(BCC_A2, [ 0.27062028 0.18546839 0.54391133], NP=0.7377060322929129)])
('reduced_hessian eigenvalues', array([ 2.45745908e+03, 5.93876880e+03, 2.46020795e+04,
1.07876448e+05, 8.10436770e+07]))
('NEW_L_MULTIPLIERS', array([ -1983.84196699, -5962.90317211, 6234.15817516, -19943.7741655 ,
-41170.1418276 , -38991.50101728, -42580.63166678]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -1.12757026e-16, 0.00000000e+00,
0.00000000e+00, 4.47375091e-08, -3.81023871e-08,
-6.63512206e-09]))
('penalty', 10000)
('old_driving_force', -41261.459278405382, 4.4737509141690168e-08)
('sublsum', -5.4399798942259195e-07)
(1.0, -41261.460173346568, 4.0505931941936524e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=0.2622929359807467), CompositionSet(BCC_A2, [ 0.27062158 0.18546776 0.54391066], NP=0.7377070640192533)])
('step', array([ -3.94313733e-06, 3.96103120e-06, -1.78938694e-08,
2.32884252e-11, -1.62046295e-07, 1.62023006e-07,
1.29727294e-06, -6.30606674e-07, -6.66666262e-07,
0.00000000e+00, -1.03172634e-06, 1.03172634e-06]))
('conv_angle', 57.704898279399977)
('Site fractions', array([ 8.59878855e-01, 3.43271360e-02, 1.05794009e-01,
5.16032198e-06, 9.97090640e-01, 2.90419967e-03,
2.70621577e-01, 1.85467764e-01, 5.43910659e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.26229294, 0.73770706]))
('Chemical potentials', array([-41170.1418276 , -38991.50101728, -42580.63166678]))
('Chem pot progress', array([ 0.02630122, 0.0035679 , -0.01478239]))
('Energy progress', 7.337442366406322e-05)
('Driving force', 2.570741344243288e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=0.2622929359807467), CompositionSet(BCC_A2, [ 0.27062158 0.18546776 0.54391066], NP=0.7377070640192533)])
('reduced_hessian eigenvalues', array([ 2.45813725e+03, 5.94036258e+03, 2.45986055e+04,
1.07870294e+05, 8.10429975e+07]))
('NEW_L_MULTIPLIERS', array([ -1983.84198375, -5962.90321196, 6234.15814736, -19943.77412041,
-41170.14181598, -38991.50103302, -42580.63166723]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 3.12250226e-17, -1.11022302e-16,
0.00000000e+00, 4.05059319e-12, -3.31931704e-12,
-7.31192884e-13]))
('penalty', 10000)
('old_driving_force', -41261.460173346568, 4.0505931941936524e-12)
('sublsum', -3.4840074039041072e-14)
(1.0, -41261.460173427571, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=0.2622929377503183), CompositionSet(BCC_A2, [ 0.27062158 0.18546776 0.54391066], NP=0.7377070622496815)])
('step', array([ 1.56979364e-10, 2.74953898e-10, -4.31933235e-10,
3.62594761e-14, 5.69262010e-11, -5.69624917e-11,
-7.68643436e-10, -4.74681052e-10, 1.24332460e-09,
0.00000000e+00, 1.76957160e-09, -1.76957177e-09]))
('conv_angle', 83.319038486021469)
('Site fractions', array([ 8.59878855e-01, 3.43271363e-02, 1.05794008e-01,
5.16032202e-06, 9.97090640e-01, 2.90419961e-03,
2.70621576e-01, 1.85467763e-01, 5.43910660e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.26229294, 0.73770706]))
('Chemical potentials', array([-41170.14181598, -38991.50103302, -42580.63166723]))
('Chem pot progress', array([ 1.16150477e-05, -1.57355025e-05, -4.50061634e-07]))
('Energy progress', 6.220943760126829e-09)
('Driving force', 1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.27062158 0.18546776 0.54391066], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.20094466 0.37782077 0.42123458], NP=1.0), 11.869395641777373), (CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=1.0), 11.869395641755546), (CompositionSet(BCC_A2, [ 0.27062157 0.18546778 0.54391065], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=1.0), 11.869395641770097), (CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=1.0), 11.869395641777373), (CompositionSet(BCC_A2, [ 0.27062158 0.18546775 0.54391067], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=1.0), 11.869395641762821), (CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=1.0), 11.869395641762821)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=1.0), -3.637978807091713e-11), (CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=1.0), -7.275957614183426e-12)], 'HCP_A3': []})
Adding CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=0.2622929346655166)
Adding CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=6.497009272673462e-08)
Adding CompositionSet(BCC_A2, [ 0.27062158 0.18546775 0.54391067], NP=0.7377070003643907)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=0.2622929346655166), CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=6.497009272673462e-08), CompositionSet(BCC_A2, [ 0.27062158 0.18546775 0.54391067], NP=0.7377070003643907)])
('reduced_hessian eigenvalues', array([ -3.25497156e+01, 1.11190929e-03, 4.99328388e+01,
3.01392054e+03, 6.08710178e+03, 2.46117897e+04,
1.07871722e+05, 8.11120158e+07]))
('reduced_hessian modified eigenvalues', array([ 1.11190938e-03, 3.25497156e+01, 4.99328388e+01,
3.01392054e+03, 6.08710178e+03, 2.46117897e+04,
1.07871722e+05, 8.11120158e+07]))
('NEW_L_MULTIPLIERS', array([ -1938.77681955, -5821.35061675, 1373.30374833, -3712.99600837,
4754.5872209 , -16478.99898809, -41157.22597911, -39010.48123571,
-42592.9524306 ]))
('L_CONSTRAINTS', array([ -8.32667268e-17, -4.42354486e-17, 1.66533454e-16,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 2.77555756e-17, 5.55111512e-17]))
('penalty', 10000)
('old_driving_force', -41261.460174198721, 1.6653345369377348e-16)
('sublsum', -1.6923633651024945)
(1.0, -40904.692062723079, 0.016559056892661905)
(0.5, -41176.000113034184, 0.0041397642231654763)
(0.25, -41240.740646019105, 0.0010349410557913274)
(0.125, -41256.442288577084, 0.00025873526394781798)
(0.0625, -41260.265765499331, 6.4683815986898985e-05)
(0.03125, -41261.188922336929, 1.6170953996641479e-05)
(0, -41261.460174198721, 1.6653345369377348e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=0.2622929346655166), CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=6.497009272673462e-08), CompositionSet(BCC_A2, [ 0.27062158 0.18546775 0.54391067], NP=0.7377070003643907)])
('step', array([ 5.54188886e-04, -1.79499896e-04, -3.74688990e-04,
-4.55230576e-10, 7.67524883e-06, -7.67479360e-06,
9.39651370e-02, 3.24030082e-03, -9.72054379e-02,
0.00000000e+00, 1.58927208e-02, -3.57012842e-02,
1.98085635e-02, 0.00000000e+00, -6.23330235e-03,
1.42582105e-01, -1.36348803e-01]))
('conv_angle', 89.935408130715459)
('Site fractions', array([ 8.59878858e-01, 3.43271336e-02, 1.05794008e-01,
5.16032186e-06, 9.97090640e-01, 2.90419939e-03,
2.00944657e-01, 3.77820759e-01, 4.21234584e-01,
1.00000000e+00, 2.70621583e-01, 1.85467747e-01,
5.43910669e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.62292935e-01, 6.49700927e-08, 7.37707000e-01]))
('Chemical potentials', array([-41157.22597911, -39010.48123571, -42592.9524306 ]))
('Chem pot progress', array([-17.58083031, 30.57869572, -14.04626896]))
('Energy progress', 0.0)
('Driving force', 5.0196235532930586)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=0.2622929346655166), CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=6.497009272673462e-08), CompositionSet(BCC_A2, [ 0.27062158 0.18546775 0.54391067], NP=0.7377070003643907)])
('reduced_hessian eigenvalues', array([ -1.38099841e+01, 4.34031513e-04, 2.02141635e+01,
3.00760895e+03, 6.09089815e+03, 2.46138054e+04,
1.07872381e+05, 8.11120153e+07]))
('reduced_hessian modified eigenvalues', array([ 4.34031686e-04, 1.38099841e+01, 2.02141635e+01,
3.00760895e+03, 6.09089815e+03, 2.46138054e+04,
1.07872381e+05, 8.11120153e+07]))
('NEW_L_MULTIPLIERS', array([ -1887.27986386, -5666.29056848, 3317.24829791, -8969.23017745,
2625.6550482 , -11534.76127127, -41157.12265594, -39010.80617614,
-42591.75366273]))
('L_CONSTRAINTS', array([ -8.32667268e-17, -4.42354486e-17, 1.66533454e-16,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 2.77555756e-17, 5.55111512e-17]))
('penalty', 1000.0)
('old_driving_force', -41261.460174198728, 1.6653345369377348e-16)
('sublsum', -4.0877972010180352)
(1.0, -39697.102225353578, 0.16130486401244859)
(0.5, -41032.042649930161, 0.052023488014657449)
(0.25, -41223.438366454167, 0.013005872003664321)
(0.125, -41253.910746235721, 0.0032514680009160801)
(0.0625, -41259.896654081531, 0.00081286700022892289)
(0.03125, -41261.157231472047, 0.00020321675005718909)
(0, -41261.460174198728, 1.6653345369377348e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=0.2622929346655166), CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=6.497009272673462e-08), CompositionSet(BCC_A2, [ 0.27062158 0.18546775 0.54391067], NP=0.7377070003643907)])
('step', array([ 5.34992900e-04, -1.82615131e-04, -3.52377769e-04,
1.38876592e-09, 6.45249972e-06, -6.45388849e-06,
1.86841655e-01, 3.70250471e-01, -5.57092126e-01,
0.00000000e+00, 3.77554074e-02, -8.67539725e-02,
4.89985651e-02, 0.00000000e+00, -1.30501079e-02,
3.44398100e-01, -3.31347992e-01]))
('conv_angle', 89.981567614668663)
('Site fractions', array([ 8.59878858e-01, 3.43271336e-02, 1.05794008e-01,
5.16032186e-06, 9.97090640e-01, 2.90419939e-03,
2.00944657e-01, 3.77820759e-01, 4.21234584e-01,
1.00000000e+00, 2.70621583e-01, 1.85467747e-01,
5.43910669e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.62292935e-01, 6.49700927e-08, 7.37707000e-01]))
('Chemical potentials', array([-41157.12265594, -39010.80617614, -42591.75366273]))
('Chem pot progress', array([ 0.10332317, -0.32494044, 1.19876787]))
('Energy progress', 0.0)
('Driving force', 4.5547142401264864)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57325429 0.3552483 0.07149741], NP=0.2622929346655166), CompositionSet(BCC_A2, [ 0.20094466 0.37782076 0.42123458], NP=6.497009272673462e-08), CompositionSet(BCC_A2, [ 0.27062158 0.18546775 0.54391067], NP=0.7377070003643907)])
('reduced_hessian eigenvalues', array([ -1.36896284e+01, 4.91735405e-04, 2.03468225e+01,
3.00758536e+03, 6.09117144e+03, 2.46137536e+04,
1.07872360e+05, 8.11120153e+07]))
('reduced_hessian modified eigenvalues', array([ 4.91735602e-04, 1.36896284e+01, 2.03468225e+01,
3.00758536e+03, 6.09117144e+03, 2.46137536e+04,
1.07872360e+05, 8.11120153e+07]))
('NEW_L_MULTIPLIERS', array([ -1887.02052909, -5665.38136379, 3316.32960708, -8967.18818662,
2627.30294722, -11537.63111801, -41156.87272981, -39011.1895976 ,
-42591.83759729]))
('L_CONSTRAINTS', array([ -8.32667268e-17, -4.42354486e-17, 1.66533454e-16,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 2.77555756e-17, 5.55111512e-17]))
('penalty', 100.0)
('old_driving_force', -41261.460174198728, 1.6653345369377348e-16)
('sublsum', -4.0868033115149416)
(1.0, -40128.512340932488, 0.16125086280412337)
(0.5, -41133.647120977243, 0.049569333770212443)
(0.25, -41247.214949554887, 0.012392333442553027)
(0.125, -41259.802125123897, 0.0030980833606382707)
(0.0625, -41261.36783780509, 0.0007745208401595538)
(0.03125, -41261.52503226215, 0.00019363021003981906)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57326564 0.35524449 0.07148987], NP=0.26188387095212456), CompositionSet(BCC_A2, [ 0.20738717 0.38790235 0.40471048], NP=0.01075988886226936), CompositionSet(BCC_A2, [ 0.27180163 0.18275768 0.54544068], NP=0.7273562401856062)])
('step', array([ 5.44537542e-04, -1.86170676e-04, -3.58366866e-04,
1.47320913e-09, 6.53728991e-06, -6.53876312e-06,
2.06160318e-01, 3.22611068e-01, -5.28771385e-01,
0.00000000e+00, 3.77616154e-02, -8.67221120e-02,
4.89604966e-02, 0.00000000e+00, -1.30900388e-02,
3.44314365e-01, -3.31224326e-01]))
('conv_angle', 89.980802886793001)
('Site fractions', array([ 8.59895875e-01, 3.43213158e-02, 1.05782809e-01,
5.16036790e-06, 9.97090845e-01, 2.90399506e-03,
2.07387167e-01, 3.87902355e-01, 4.04710478e-01,
1.00000000e+00, 2.71801634e-01, 1.82757681e-01,
5.45440685e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.26188387, 0.01075989, 0.72735624]))
('Chemical potentials', array([-41156.87272981, -39011.1895976 , -42591.83759729]))
('Chem pot progress', array([ 0.24992613, -0.38342146, -0.08393455]))
('Energy progress', 0.46721641129261116)
('Driving force', 4.4870954381112824)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57326564 0.35524449 0.07148987], NP=0.26188387095212456), CompositionSet(BCC_A2, [ 0.20738717 0.38790235 0.40471048], NP=0.01075988886226936), CompositionSet(BCC_A2, [ 0.27180163 0.18275768 0.54544068], NP=0.7273562401856062)])
('reduced_hessian eigenvalues', array([ -1.08798127e+02, 2.72734607e+01, 3.73901385e+02,
2.97156955e+03, 6.06942150e+03, 2.45618939e+04,
1.07692423e+05, 8.09638742e+07]))
('reduced_hessian modified eigenvalues', array([ 2.72734607e+01, 1.08798127e+02, 3.73901385e+02,
2.97156955e+03, 6.06942150e+03, 2.45618939e+04,
1.07692423e+05, 8.09638742e+07]))
('NEW_L_MULTIPLIERS', array([ -1951.41036695, -5860.96063302, 560.8485787 , -1504.52749336,
5646.09446544, -18589.09894218, -41160.02131025, -39006.29609271,
-42596.71717151]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 3.29597460e-17, 1.11022302e-16,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
5.71012121e-05, 1.36528998e-04, -1.93630210e-04]))
('penalty', 10000)
('old_driving_force', -41257.6925872539, 0.00019363021003981906)
('sublsum', -0.56323438416522675)
(1.0, -41222.358426846513, 0.0019538639257715706)
(0.5, -41250.724828940096, 0.00055356110011769988)
(0.25, -41257.233187936828, 0.00022372089877156776)
(0.125, -41258.253158919484, 0.00016922834751492699)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57330854 0.35523299 0.07145847], NP=0.2613727006016341), CompositionSet(BCC_A2, [ 0.20291875 0.39157266 0.40550859], NP=0.016653953597498234), CompositionSet(BCC_A2, [ 0.27257631 0.18114291 0.54628077], NP=0.7219733458008678)])
('step', array([ 5.14825349e-04, -1.42812805e-04, -3.72012544e-04,
-5.00704930e-09, 9.59841715e-06, -9.59341010e-06,
-3.57473729e-02, 2.93624587e-02, 6.38491417e-03,
0.00000000e+00, 6.19745008e-03, -1.29181497e-02,
6.72069966e-03, 0.00000000e+00, -4.08936280e-03,
4.71525179e-02, -4.30631551e-02]))
('conv_angle', 89.800876656007716)
('Site fractions', array([ 8.59960228e-01, 3.43034642e-02, 1.05736308e-01,
5.15974202e-06, 9.97092044e-01, 2.90279588e-03,
2.02918745e-01, 3.91572662e-01, 4.05508593e-01,
1.00000000e+00, 2.72576315e-01, 1.81142913e-01,
5.46280772e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.2613727 , 0.01665395, 0.72197335]))
('Chemical potentials', array([-41160.02131025, -39006.29609271, -42596.71717151]))
('Chem pot progress', array([-3.14858044, 4.89350489, -4.87957422]))
('Energy progress', -0.07902349272626452)
('Driving force', 6.4390460739086848)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57330854 0.35523299 0.07145847], NP=0.2613727006016341), CompositionSet(BCC_A2, [ 0.20291875 0.39157266 0.40550859], NP=0.016653953597498234), CompositionSet(BCC_A2, [ 0.27257631 0.18114291 0.54628077], NP=0.7219733458008678)])
('reduced_hessian eigenvalues', array([ -3.56006491e+01, 5.04052512e+01, 4.43284623e+02,
2.99551000e+03, 6.07203389e+03, 2.45223744e+04,
1.07516617e+05, 8.08109643e+07]))
('reduced_hessian modified eigenvalues', array([ 3.56006491e+01, 5.04052512e+01, 4.43284623e+02,
2.99551000e+03, 6.07203389e+03, 2.45223744e+04,
1.07516617e+05, 8.08109643e+07]))
('NEW_L_MULTIPLIERS', array([ -1918.28584384, -5757.20844074, 1570.86518377, -4229.87234386,
4531.63601449, -16060.3571892 , -41152.61914311, -39017.66921087,
-42597.84044521]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -3.98986399e-17, 1.11022302e-16,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
1.94344367e-05, 1.49793911e-04, -1.69228348e-04]))
('penalty', 10000)
('old_driving_force', -41258.251789242335, 0.00016922834751492699)
('sublsum', -1.7553987732926581)
(1.0, -41091.246972957306, 0.0082493286631213358)
(0.5, -41220.674299085913, 0.002052614947427478)
(0.25, -41251.978116692066, 0.00050100721391571623)
(0.125, -41258.332475747564, 0.00017593862239537184)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57336631 0.355214 0.07141969], NP=0.2603559217887825), CompositionSet(BCC_A2, [ 0.19800554 0.38927127 0.41272319], NP=0.0349031951745072), CompositionSet(BCC_A2, [ 0.27484963 0.17610311 0.54904727], NP=0.7047408830367105)])
('step', array([ 6.93272716e-04, -2.32250897e-04, -4.61021818e-04,
1.02589574e-09, 8.80430004e-06, -8.80532593e-06,
-3.93056347e-02, -1.84111297e-02, 5.77167644e-02,
0.00000000e+00, 1.81864965e-02, -4.03184570e-02,
2.21319605e-02, 0.00000000e+00, -8.13423050e-03,
1.45993933e-01, -1.37859702e-01]))
('conv_angle', 89.927146636723833)
('Site fractions', array([ 8.60046887e-01, 3.42744328e-02, 1.05678680e-01,
5.15987026e-06, 9.97093145e-01, 2.90169521e-03,
1.98005541e-01, 3.89271271e-01, 4.12723188e-01,
1.00000000e+00, 2.74849627e-01, 1.76103106e-01,
5.49047267e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.26035592, 0.0349032 , 0.70474088]))
('Chemical potentials', array([-41152.61914311, -39017.66921087, -42597.84044521]))
('Chem pot progress', array([ 7.40216714, -11.37311816, -1.1232737 ]))
('Energy progress', -0.31108323984517483)
('Driving force', 6.7223573825249332)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57336631 0.355214 0.07141969], NP=0.2603559217887825), CompositionSet(BCC_A2, [ 0.19800554 0.38927127 0.41272319], NP=0.0349031951745072), CompositionSet(BCC_A2, [ 0.27484963 0.17610311 0.54904727], NP=0.7047408830367105)])
('reduced_hessian eigenvalues', array([ 9.82665244e+00, 9.65341358e+01, 8.56707423e+02,
3.07081843e+03, 6.07534429e+03, 2.44166509e+04,
1.07106558e+05, 8.04691543e+07]))
('NEW_L_MULTIPLIERS', array([ -1829.74171628, -5467.20694863, 4829.96025349, -13049.32862925,
976.0527413 , -7789.90648078, -41112.2062162 , -39084.35627434,
-42584.38559275]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -5.89805982e-17, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-1.11890628e-04, 1.75938622e-04, -6.40479942e-05]))
('penalty', 10000)
('old_driving_force', -41258.315359333392, 0.00017593862239537184)
('sublsum', -5.4304879953316174)
(1.0, -39960.969526890462, 0.064135169429059669)
(0.5, -40941.356313509328, 0.015945823046067259)
(0.25, -41185.019967600252, 0.0038764941225197524)
(0.125, -41245.477647970802, 0.00084816572773313559)
(0.0625, -41259.361269218738, 0.0001403893654265409)
('alpha', 0.0625)
('Phases', [CompositionSet(LAVES_C15, [ 0.57343438 0.35518117 0.07138445], NP=0.2591193717885), CompositionSet(BCC_A2, [ 0.20301891 0.37328798 0.42369312], NP=0.06403586574247726), CompositionSet(BCC_A2, [ 0.27828648 0.16839352 0.55331999], NP=0.6768447624690229)])
('step', array([ 1.63355005e-03, -7.86141196e-04, -8.47408858e-04,
5.03329317e-08, -3.65366533e-06, 3.60333239e-06,
8.02138817e-02, -2.55732719e-01, 1.75518837e-01,
0.00000000e+00, 5.49897105e-02, -1.23353331e-01,
6.83636200e-02, 0.00000000e+00, -1.97848000e-02,
4.66122729e-01, -4.46337929e-01]))
('conv_angle', 89.979107435040149)
('Site fractions', array([ 8.60148984e-01, 3.42252990e-02, 1.05625717e-01,
5.16301606e-06, 9.97092917e-01, 2.90192042e-03,
2.03018909e-01, 3.73287976e-01, 4.23693116e-01,
1.00000000e+00, 2.78286484e-01, 1.68393522e-01,
5.53319994e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.25911937, 0.06403587, 0.67684476]))
('Chemical potentials', array([-41112.2062162 , -39084.35627434, -42584.38559275]))
('Chem pot progress', array([ 40.41292691, -66.68706347, 13.45485246]))
('Energy progress', -1.1662249824148603)
('Driving force', 1.9470111989212455)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57343438 0.35518117 0.07138445], NP=0.2591193717885), CompositionSet(BCC_A2, [ 0.20301891 0.37328798 0.42369312], NP=0.06403586574247726), CompositionSet(BCC_A2, [ 0.27828648 0.16839352 0.55331999], NP=0.6768447624690229)])
('reduced_hessian eigenvalues', array([ 1.89081540e+01, 1.67344783e+02, 1.49010601e+03,
3.20230182e+03, 6.07856810e+03, 2.42756340e+04,
1.06526338e+05, 7.99841581e+07]))
('NEW_L_MULTIPLIERS', array([ -1919.08493766, -5740.87374843, 2240.55045426, -6093.05500517,
3864.12271041, -14214.45331803, -41119.98410047, -39071.07892416,
-42588.70685516]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 2.47198095e-17, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-5.48038183e-05, -8.55855471e-05, 1.40389365e-04]))
('penalty', 10000)
('old_driving_force', -41259.35995246793, 0.0001403893654265409)
('sublsum', -1.5609167038779759)
(1.0, -40990.532469187172, 0.013551449870264271)
(0.5, -41193.832798665288, 0.0034306552411093871)
(0.25, -41244.232553146554, 0.00091115477720646321)
(0.125, -41256.608958607481, 0.0002866287579236515)
(0.0625, -41258.841983856539, 0.00017093022750647169)
(0.03125, -41259.298804683567, 0.00014583099711173997)
(0, -41259.35995246793, 0.0001403893654265409)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57343438 0.35518117 0.07138445], NP=0.2591193717885), CompositionSet(BCC_A2, [ 0.20301891 0.37328798 0.42369312], NP=0.06403586574247726), CompositionSet(BCC_A2, [ 0.27828648 0.16839352 0.55331999], NP=0.6768447624690229)])
('step', array([ 1.35884183e-03, -6.17647997e-04, -7.41193831e-04,
3.47062806e-08, 6.03124873e-07, -6.37831153e-07,
3.77778606e-02, -1.16708785e-01, 7.89309248e-02,
0.00000000e+00, 1.78369884e-02, -3.81234645e-02,
2.02864761e-02, 0.00000000e+00, -6.53448219e-03,
1.69306710e-01, -1.62772228e-01]))
('conv_angle', 89.956540285972551)
('Site fractions', array([ 8.60148984e-01, 3.42252990e-02, 1.05625717e-01,
5.16301606e-06, 9.97092917e-01, 2.90192042e-03,
2.03018909e-01, 3.73287976e-01, 4.23693116e-01,
1.00000000e+00, 2.78286484e-01, 1.68393522e-01,
5.53319994e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.25911937, 0.06403587, 0.67684476]))
('Chemical potentials', array([-41119.98410047, -39071.07892416, -42588.70685516]))
('Chem pot progress', array([ -7.77788427, 13.27735018, -4.3212624 ]))
('Energy progress', 0.0)
('Driving force', 3.4317271111358423)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57343438 0.35518117 0.07138445], NP=0.2591193717885), CompositionSet(BCC_A2, [ 0.20301891 0.37328798 0.42369312], NP=0.06403586574247726), CompositionSet(BCC_A2, [ 0.27828648 0.16839352 0.55331999], NP=0.6768447624690229)])
('reduced_hessian eigenvalues', array([ 2.60701565e+01, 1.55507794e+02, 1.49084205e+03,
3.19863351e+03, 6.08064427e+03, 2.42765835e+04,
1.06526639e+05, 7.99841579e+07]))
('NEW_L_MULTIPLIERS', array([ -1927.09433476, -5770.62720319, 1885.32075193, -5120.63244269,
4225.05051416, -15145.06793286, -41130.67783591, -39054.27433106,
-42586.02153309]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 2.47198095e-17, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-5.48038183e-05, -8.55855471e-05, 1.40389365e-04]))
('penalty', 1000.0)
('old_driving_force', -41261.886485863499, 0.0001403893654265409)
('sublsum', -1.219964935964079)
(1.0, -41249.545100512652, 0.0062075920898118364)
(0.5, -41259.294516330607, 0.0015946907959962509)
(0.25, -41261.507170586294, 0.00045216366592823465)
(0.125, -41261.91181561158, 0.00019731974782233319)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57351778 0.35514227 0.07133995], NP=0.25846490710111564), CompositionSet(BCC_A2, [ 0.20612074 0.36368767 0.4301916 ], NP=0.08055759492718349), CompositionSet(BCC_A2, [ 0.28009388 0.16451165 0.55539447], NP=0.660977497971701)])
('step', array([ 1.00078729e-03, -4.66412698e-04, -5.34374590e-04,
2.78774481e-08, -7.32555564e-07, 7.04678116e-07,
2.48146295e-02, -7.68024861e-02, 5.19878566e-02,
0.00000000e+00, 1.44591616e-02, -3.10549562e-02,
1.65957945e-02, 0.00000000e+00, -5.23571750e-03,
1.32173833e-01, -1.26938116e-01]))
('conv_angle', 89.942016601883935)
('Site fractions', array([ 8.60274082e-01, 3.41669974e-02, 1.05558920e-01,
5.16650074e-06, 9.97092825e-01, 2.90200851e-03,
2.06120737e-01, 3.63687665e-01, 4.30191598e-01,
1.00000000e+00, 2.80093879e-01, 1.64511653e-01,
5.55394468e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.25846491, 0.08055759, 0.6609775 ]))
('Chemical potentials', array([-41130.67783591, -39054.27433106, -42586.02153309]))
('Chem pot progress', array([-10.69373544, 16.8045931 , 2.68532207]))
('Energy progress', -0.40122792563488474)
('Driving force', 2.0429275005080854)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57351778 0.35514227 0.07133995], NP=0.25846490710111564), CompositionSet(BCC_A2, [ 0.20612074 0.36368767 0.4301916 ], NP=0.08055759492718349), CompositionSet(BCC_A2, [ 0.28009388 0.16451165 0.55539447], NP=0.660977497971701)])
('reduced_hessian eigenvalues', array([ 4.52354203e+01, 1.51053035e+02, 1.80027585e+03,
3.29016715e+03, 6.10252032e+03, 2.42207908e+04,
1.06220270e+05, 7.96963545e+07]))
('NEW_L_MULTIPLIERS', array([ -1939.04427671, -5811.62924935, 1420.29199863, -3859.79081105,
4709.75455796, -16341.05106388, -41140.41829994, -39039.06380718,
-42583.0405833 ]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -6.50521303e-18, 5.55111512e-17,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
-2.54387677e-05, -1.71880980e-04, 1.97319748e-04]))
('penalty', 10000)
('old_driving_force', -41258.358281736691, 0.00019731974782233319)
('sublsum', -0.49442354076676137)
(1.0, -41256.033487824694, 0.00032267628573956486)
(0.5, -41258.895204689397, 0.00017932894534605781)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 0.57370081 0.35505104 0.07124815], NP=0.25707201772539207), CompositionSet(BCC_A2, [ 0.20905366 0.35411105 0.4368353 ], NP=0.11423116916575157), CompositionSet(BCC_A2, [ 0.284071 0.15609919 0.55982981], NP=0.6286968131088564)])
('step', array([ 5.49094098e-04, -2.72633373e-04, -2.76460724e-04,
1.87386293e-08, -2.14219186e-06, 2.12345323e-06,
5.86583593e-03, -1.91532314e-02, 1.32873954e-02,
0.00000000e+00, 7.95424865e-03, -1.68249305e-02,
8.87068190e-03, 0.00000000e+00, -2.78577875e-03,
6.73471485e-02, -6.45613697e-02]))
('conv_angle', 89.901547637071431)
('Site fractions', array([ 8.60548629e-01, 3.40306807e-02, 1.05420690e-01,
5.17587006e-06, 9.97091754e-01, 2.90307023e-03,
2.09053655e-01, 3.54111049e-01, 4.36835295e-01,
1.00000000e+00, 2.84071003e-01, 1.56099188e-01,
5.59829809e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.25707202, 0.11423117, 0.62869681]))
('Chemical potentials', array([-41140.41829994, -39039.06380718, -42583.0405833 ]))
('Chem pot progress', array([ -9.74046404, 15.21052388, 2.98094979]))
('Energy progress', -0.07729281559295487)
('Driving force', 0.52634202055196511)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57370081 0.35505104 0.07124815], NP=0.25707201772539207), CompositionSet(BCC_A2, [ 0.20905366 0.35411105 0.4368353 ], NP=0.11423116916575157), CompositionSet(BCC_A2, [ 0.284071 0.15609919 0.55982981], NP=0.6286968131088564)])
('reduced_hessian eigenvalues', array([ 6.51742304e+01, 1.93433060e+02, 2.28511276e+03,
3.62043067e+03, 6.16592008e+03, 2.41248245e+04,
1.05544510e+05, 7.90620456e+07]))
('NEW_L_MULTIPLIERS', array([ -1941.72509201, -5819.7034442 , 1279.76116431, -3477.50075771,
4855.14642842, -16709.47534983, -41140.75576669, -39038.72293372,
-42581.86018041]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 2.64545330e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-4.25967968e-05, -1.36732149e-04, 1.79328945e-04]))
('penalty', 10000)
('old_driving_force', -41258.895384136442, 0.00017932894534605781)
('sublsum', -0.072109142788340713)
(1.0, -41259.685105510274, 0.00014153973954114663)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5738705 0.35496073 0.07116877], NP=0.2560366931524643), CompositionSet(BCC_A2, [ 0.20827637 0.35608225 0.43564138], NP=0.13326935836449388), CompositionSet(BCC_A2, [ 0.28695923 0.15032688 0.56271389], NP=0.6106939484830418)])
('step', array([ 2.54533107e-04, -1.34516684e-04, -1.20016423e-04,
1.04916849e-08, -1.89525999e-06, 1.88476830e-06,
-7.77285641e-04, 1.97120344e-03, -1.19391780e-03,
0.00000000e+00, 2.88822721e-03, -5.77230891e-03,
2.88408170e-03, 0.00000000e+00, -1.03532457e-03,
1.90381892e-02, -1.80028646e-02]))
('conv_angle', 89.816064100635117)
('Site fractions', array([ 8.60803163e-01, 3.38961640e-02, 1.05300673e-01,
5.18636174e-06, 9.97089859e-01, 2.90495500e-03,
2.08276370e-01, 3.56082253e-01, 4.35641378e-01,
1.00000000e+00, 2.86959231e-01, 1.50326879e-01,
5.62713891e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.25603669, 0.13326936, 0.61069395]))
('Chemical potentials', array([-41140.75576669, -39038.72293372, -42581.86018041]))
('Chem pot progress', array([-0.33746675, 0.34087346, 1.18040289]))
('Energy progress', 0.9168936708083493)
('Driving force', 0.03616856834560167)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5738705 0.35496073 0.07116877], NP=0.2560366931524643), CompositionSet(BCC_A2, [ 0.20827637 0.35608225 0.43564138], NP=0.13326935836449388), CompositionSet(BCC_A2, [ 0.28695923 0.15032688 0.56271389], NP=0.6106939484830418)])
('reduced_hessian eigenvalues', array([ 7.47134785e+01, 2.64817084e+02, 2.46164411e+03,
3.89751658e+03, 6.21652781e+03, 2.41025921e+04,
1.05022705e+05, 7.85558466e+07]))
('NEW_L_MULTIPLIERS', array([ -1942.17932513, -5821.00569869, 1262.67619418, -3431.35419226,
4873.68336166, -16752.94956742, -41140.66700932, -39038.88159456,
-42581.76250783]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -5.07406617e-17, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-6.69701611e-05, 1.41539740e-04, -7.45695784e-05]))
('penalty', 10000)
('old_driving_force', -41259.685069825959, 0.00014153973954114663)
('sublsum', -0.00055431595743525336)
(1.0, -41262.484785541179, 1.5678898152571286e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387185 0.35495967 0.07116848], NP=0.25609441013505374), CompositionSet(BCC_A2, [ 0.2084372 0.35562826 0.43593454], NP=0.13149744327279875), CompositionSet(BCC_A2, [ 0.28677782 0.15077228 0.5624499 ], NP=0.6124081465921474)])
('step', array([ 2.02378544e-06, -1.54404701e-06, -4.79738430e-07,
2.36923548e-10, -8.66315350e-08, 8.63946115e-08,
1.60834687e-04, -4.53995460e-04, 2.93160774e-04,
0.00000000e+00, -1.81414338e-04, 4.45403295e-04,
-2.63988957e-04, 0.00000000e+00, 5.77169826e-05,
-1.77191509e-03, 1.71419811e-03]))
('conv_angle', 89.840990266300807)
('Site fractions', array([ 8.60805186e-01, 3.38946200e-02, 1.05300194e-01,
5.18659867e-06, 9.97089772e-01, 2.90504140e-03,
2.08437204e-01, 3.55628257e-01, 4.35934538e-01,
1.00000000e+00, 2.86777816e-01, 1.50772282e-01,
5.62449902e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.25609441, 0.13149744, 0.61240815]))
('Chemical potentials', array([-41140.66700932, -39038.88159456, -42581.76250783]))
('Chem pot progress', array([ 0.08875737, -0.15866084, 0.09767258]))
('Energy progress', -0.40053064874518896)
('Driving force', 0.00032996004301821813)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57387185 0.35495967 0.07116848], NP=0.25609441013505374), CompositionSet(BCC_A2, [ 0.2084372 0.35562826 0.43593454], NP=0.13149744327279875), CompositionSet(BCC_A2, [ 0.28677782 0.15077228 0.5624499 ], NP=0.6124081465921474)])
('reduced_hessian eigenvalues', array([ 7.33634111e+01, 2.55750668e+02, 2.44843502e+03,
3.87029412e+03, 6.21219755e+03, 2.41100592e+04,
1.05047173e+05, 7.85728687e+07]))
('NEW_L_MULTIPLIERS', array([ -1942.18262738, -5821.01514687, 1262.55586184, -3431.0330762 ,
4873.81691193, -16753.25284892, -41140.66637023, -39038.88281251,
-42581.76158792]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 2.42861287e-17, 0.00000000e+00,
0.00000000e+00, 1.11022302e-16, 0.00000000e+00,
-5.95887648e-07, 1.56788982e-06, -9.72002167e-07]))
('penalty', 10000)
('old_driving_force', -41262.484785537992, 1.5678898152571286e-06)
('sublsum', -4.8951660390790745e-08)
(1.0, -41262.516140340194, 1.5092452287923663e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.2560948290060312), CompositionSet(BCC_A2, [ 0.20844035 0.35561931 0.43594034], NP=0.13148506749288902), CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=0.6124201035010799)])
('step', array([ 6.36326354e-09, -9.49521455e-09, 3.13195103e-09,
1.52489895e-12, -6.83897426e-10, 6.82372502e-10,
3.14095116e-06, -8.94569174e-06, 5.80474058e-06,
0.00000000e+00, -1.48268351e-06, 3.36352411e-06,
-1.88084060e-06, 0.00000000e+00, 4.18870977e-07,
-1.23757799e-05, 1.19569089e-05]))
('conv_angle', 89.751102758463347)
('Site fractions', array([ 8.60805193e-01, 3.38946105e-02, 1.05300197e-01,
5.18660019e-06, 9.97089771e-01, 2.90504208e-03,
2.08440345e-01, 3.55619312e-01, 4.35940343e-01,
1.00000000e+00, 2.86776334e-01, 1.50775646e-01,
5.62448021e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.25609483, 0.13148507, 0.6124201 ]))
('Chemical potentials', array([-41140.66637023, -39038.88281251, -42581.76158792]))
('Chem pot progress', array([ 0.00063909, -0.00121795, 0.00091991]))
('Energy progress', -0.00469568396511022)
('Driving force', 2.6302586775273085e-08)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.2560948290060312), CompositionSet(BCC_A2, [ 0.20844035 0.35561931 0.43594034], NP=0.13148506749288902), CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=0.6124201035010799)])
('reduced_hessian eigenvalues', array([ 7.32941380e+01, 2.55380541e+02, 2.44735993e+03,
3.86889162e+03, 6.20866773e+03, 2.41100359e+04,
1.05047772e+05, 7.85729901e+07]))
('NEW_L_MULTIPLIERS', array([ -1942.18262764, -5821.01514765, 1262.55552805, -3431.03209523,
4873.81718941, -16753.25387209, -41140.66637034, -39038.88281234,
-42581.76158786]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 3.46944695e-17, 5.55111512e-17,
0.00000000e+00, -2.22044605e-16, 0.00000000e+00,
-5.65982261e-11, 1.50924523e-10, -9.43262135e-11]))
('penalty', 10000)
('old_driving_force', -41262.516140340194, 1.5092452287923663e-10)
('sublsum', -8.3209308313900193e-13)
(1.0, -41262.516143358669, 2.0261570199409107e-15)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.25609482904252323), CompositionSet(BCC_A2, [ 0.20844033 0.35561937 0.43594031], NP=0.13148503086991684), CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=0.6124201400875598)])
('step', array([ -4.54284507e-12, 1.66099217e-12, 2.88182514e-12,
4.49538067e-16, -2.93558876e-13, 2.93074643e-13,
-1.92334653e-08, 5.54500817e-08, -3.62166164e-08,
0.00000000e+00, -4.78570333e-10, 8.57124688e-11,
3.92858087e-10, 0.00000000e+00, 3.64920571e-11,
-3.66229722e-08, 3.65864799e-08]))
('conv_angle', 89.653798461205156)
('Site fractions', array([ 8.60805193e-01, 3.38946105e-02, 1.05300197e-01,
5.18660019e-06, 9.97089771e-01, 2.90504208e-03,
2.08440326e-01, 3.55619367e-01, 4.35940307e-01,
1.00000000e+00, 2.86776333e-01, 1.50775646e-01,
5.62448021e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.25609483, 0.13148503, 0.61242014]))
('Chemical potentials', array([-41140.66637034, -39038.88281234, -42581.76158786]))
('Chem pot progress', array([ -1.12951966e-07, 1.69951818e-07, 6.36937330e-08]))
('Energy progress', -4.531684680841863e-07)
('Driving force', -2.1827872842550278e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.28677633 0.15077564 0.56244802], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.20844033 0.35561937 0.43594031], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.20844034 0.35561932 0.43594034], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.20844033 0.35561937 0.43594031], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.20844033 0.35561936 0.43594031], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.28677633 0.15077564 0.56244802], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.20844032 0.35561937 0.4359403 ], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.20844032 0.3556194 0.43594028], NP=1.0), -2.9103830456733704e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=1.0), 0.0), (CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=1.0), 3.637978807091713e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.1496770872149668), CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=0.8503229127850331)])
('reduced_hessian eigenvalues', array([ 2.63366961e+03, 3.59120928e+03, 8.33852523e+13,
2.50295457e+14, 3.30168763e+14]))
('NEW_L_MULTIPLIERS', array([ -1679.89810295, -4927.09944643, 7295.4904143 , -20946.89149703,
-40838.87578115, -39127.73192306, -42679.93318374]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 0.00000000e+00,
0.00000000e+00, -5.03434206e-02, 1.05951513e-01,
-5.56080924e-02]))
('penalty', 10000)
('old_driving_force', -39105.593461439756, 0.10595151294683422)
('sublsum', -17.042344531353827)
(1.0, -41087.874066453092, 0.0075621843222724583)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60922125 0.33333333 0.05744542], NP=0.21047546489927893), CompositionSet(BCC_A2, [ 0.26713794 0.21203102 0.52083104], NP=0.7895245351007211)])
('step', array([ 2.49429834e-02, 4.87907249e-11, -2.49429834e-02,
3.11740403e-11, -7.46680781e-11, 4.34942421e-11,
3.08053134e-02, -1.24381350e-01, 9.35760371e-02,
0.00000000e+00, 6.07983777e-02, -6.07983777e-02]))
('conv_angle', 89.717046466209311)
('Site fractions', array([ 9.13831872e-01, 4.97907249e-11, 8.61681277e-02,
3.21740403e-11, 1.00000000e+00, 4.44942421e-11,
2.67137939e-01, 2.12031024e-01, 5.20831037e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.21047546, 0.78952454]))
('Chemical potentials', array([-40838.87578115, -39127.73192306, -42679.93318374]))
('Chem pot progress', array([-11.35468728, -42.44751379, 13.90417293]))
('Energy progress', 15.48045706791163)
('Driving force', -2.1503759951738175)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60922125 0.33333333 0.05744542], NP=0.21047546489927893), CompositionSet(BCC_A2, [ 0.26713794 0.21203102 0.52083104], NP=0.7895245351007211)])
('reduced_hessian eigenvalues', array([ 2.64157782e+03, 6.50416393e+03, 4.34005764e+12,
1.32285333e+13, 1.37300821e+13]))
('NEW_L_MULTIPLIERS', array([ -1608.00528495, -4748.88486793, 6951.38320117, -21385.39897765,
-40901.50017083, -38970.24071107, -42728.731769 ]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 5.59488259e-17, 0.00000000e+00,
0.00000000e+00, -8.61917794e-04, 7.56218432e-03,
-6.70026653e-03]))
('penalty', 10000)
('old_driving_force', -41089.445984630547, 0.0075621843222724583)
('sublsum', -0.93434236448458963)
(1.0, -41239.360567644391, 9.0332532061476734e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60384236 0.33333333 0.06282431], NP=0.20251820717403365), CompositionSet(BCC_A2, [ 0.27311127 0.20367543 0.52321331], NP=0.7974817928259663)])
('step', array([ -8.06833901e-03, 9.66372142e-10, 8.06833804e-03,
3.67599158e-10, -1.12194589e-09, 7.54346677e-10,
5.97332642e-03, -8.35559929e-03, 2.38227287e-03,
0.00000000e+00, -7.95725773e-03, 7.95725773e-03]))
('conv_angle', 89.880631189183433)
('Site fractions', array([ 9.05763533e-01, 1.01616287e-09, 9.42364657e-02,
3.99773199e-10, 9.99999999e-01, 7.98840919e-10,
2.73111265e-01, 2.03675425e-01, 5.23213310e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.20251821, 0.79748179]))
('Chemical potentials', array([-40901.50017083, -38970.24071107, -42728.731769 ]))
('Chem pot progress', array([ -62.62438968, 157.49121199, -48.79858526]))
('Energy progress', -27.409860750020016)
('Driving force', 1.8528640163276577)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60384236 0.33333333 0.06282431], NP=0.20251820717403365), CompositionSet(BCC_A2, [ 0.27311127 0.20367543 0.52321331], NP=0.7974817928259663)])
('reduced_hessian eigenvalues', array([ 2.60606220e+03, 5.74270153e+03, 2.57425495e+11,
6.25461046e+11, 9.61203120e+11]))
('NEW_L_MULTIPLIERS', array([ -1609.35114667, -4748.85497938, 6947.22602487, -21385.22718808,
-40898.9160769 , -38970.29067606, -42726.45362822]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 3.63247666e-17, 0.00000000e+00,
0.00000000e+00, 9.03325321e-05, -6.64876591e-05,
-2.38448729e-05]))
('penalty', 10000)
('old_driving_force', -41239.360750072221, 9.0332532061476734e-05)
('sublsum', -0.0058070671641103659)
(1.0, -41241.169928448391, 2.6515636020185696e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60336415 0.33333334 0.06330251], NP=0.20256717712047423), CompositionSet(BCC_A2, [ 0.27309912 0.20375083 0.52315004], NP=0.7974328228795258)])
('step', array([ -7.17312442e-04, 1.74384907e-08, 7.17295004e-04,
3.74452862e-09, -1.55212084e-08, 1.17766798e-08,
-1.21416968e-05, 7.54086328e-05, -6.32669360e-05,
0.00000000e+00, 4.89699464e-05, -4.89699464e-05]))
('conv_angle', 89.982733879733445)
('Site fractions', array([ 9.05046221e-01, 1.84546535e-08, 9.49537607e-02,
4.14430181e-09, 9.99999983e-01, 1.25755207e-08,
2.73099123e-01, 2.03750834e-01, 5.23150043e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.20256718, 0.79743282]))
('Chemical potentials', array([-40898.9160769 , -38970.29067606, -42726.45362822]))
('Chem pot progress', array([ 2.58409394, -0.04996499, 2.27814078]))
('Energy progress', 0.08153876029973617)
('Driving force', 0.0029230121508589946)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60336415 0.33333334 0.06330251], NP=0.20256717712047423), CompositionSet(BCC_A2, [ 0.27309912 0.20375083 0.52315004], NP=0.7974328228795258)])
('reduced_hessian eigenvalues', array([ 2.60752720e+03, 5.70096019e+03, 1.74987545e+10,
3.44489285e+10, 8.66842618e+10]))
('NEW_L_MULTIPLIERS', array([ -1609.36956381, -4748.90444721, 6947.19908235, -21385.16706665,
-40898.93137431, -38970.2926478 , -42726.44452361]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -6.38694904e-17, 0.00000000e+00,
0.00000000e+00, -2.28231952e-08, -3.69244077e-09,
2.65156360e-08]))
('penalty', 10000)
('old_driving_force', -41241.169928448988, 2.6515636020185696e-08)
('sublsum', -0.0046626185628283216)
(1.0, -41241.174476102082, 4.1140424400509801e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60336202 0.33333346 0.06330453], NP=0.20256960448182787), CompositionSet(BCC_A2, [ 0.27309869 0.20375041 0.5231509 ], NP=0.7974303955181721)])
('step', array([ -3.21015045e-06, 2.63124037e-07, 2.94702641e-06,
2.91174941e-08, -1.79803320e-07, 1.50685826e-07,
-4.35524298e-07, -4.19149922e-07, 8.54674220e-07,
0.00000000e+00, 2.42736135e-06, -2.42736135e-06]))
('conv_angle', 86.960484687176532)
('Site fractions', array([ 9.05043011e-01, 2.81578691e-07, 9.49567078e-02,
3.32617959e-08, 9.99999803e-01, 1.63261347e-07,
2.73098688e-01, 2.03750415e-01, 5.23150898e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.2025696, 0.7974304]))
('Chemical potentials', array([-40898.93137431, -38970.2926478 , -42726.44452361]))
('Chem pot progress', array([-0.01529741, -0.00197175, 0.00910461]))
('Energy progress', -0.003961846239690203)
('Driving force', 0.00064522933098487556)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60336202 0.33333346 0.06330453], NP=0.20256960448182787), CompositionSet(BCC_A2, [ 0.27309869 0.20375041 0.5231509 ], NP=0.7974303955181721)])
('reduced_hessian eigenvalues', array([ 2.60618833e+03, 5.70041769e+03, 1.40717559e+09,
2.25799443e+09, 1.03447833e+10]))
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('Phases', [CompositionSet(LAVES_C15, [ 0.57325966 0.35524564 0.0714947 ], NP=0.23564983068789355), CompositionSet(BCC_A2, [ 0.26808584 0.19138666 0.5405275 ], NP=0.7643501693121065)])
('step', array([ -3.45730497e-06, 3.43117035e-06, 2.61346263e-08,
1.74388078e-11, -1.37825217e-07, 1.37807778e-07,
9.80092660e-07, -4.66154294e-07, -5.13938367e-07,
0.00000000e+00, -8.21962170e-07, 8.21962170e-07]))
('conv_angle', 57.801897551408324)
('Site fractions', array([ 8.59886911e-01, 3.43231538e-02, 1.05789936e-01,
5.16059100e-06, 9.97090612e-01, 2.90422770e-03,
2.68085841e-01, 1.91386659e-01, 5.40527500e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.23564983, 0.76435017]))
('Chemical potentials', array([-41169.87277955, -38991.93932686, -42580.61103993]))
('Chem pot progress', array([ 0.02263889, 0.00263766, -0.01256438]))
('Energy progress', 7.012106652837247e-05)
('Driving force', 1.7209822544828057e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57325966 0.35524564 0.0714947 ], NP=0.23564983068789355), CompositionSet(BCC_A2, [ 0.26808584 0.19138666 0.5405275 ], NP=0.7643501693121065)])
('reduced_hessian eigenvalues', array([ 2.41525289e+03, 5.37077236e+03, 2.23605065e+04,
9.71741656e+04, 7.30126039e+07]))
('NEW_L_MULTIPLIERS', array([ -1782.37205697, -5357.19583148, 6515.56549256, -20625.69497476,
-41169.8727861 , -38991.93931383, -42580.61104133]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -1.28369537e-16, -1.11022302e-16,
0.00000000e+00, 2.70011791e-12, -2.22558083e-12,
-4.74509321e-13]))
('penalty', 10000)
('old_driving_force', -41275.565537171191, 2.700117907039612e-12)
('sublsum', -5.5126636897274234e-15)
(1.0, -41275.5655372252, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57325966 0.35524564 0.0714947 ], NP=0.23564983007863285), CompositionSet(BCC_A2, [ 0.26808584 0.19138666 0.5405275 ], NP=0.7643501699213671)])
('step', array([ -4.07431649e-11, 2.73452009e-10, -2.32708872e-10,
-6.82714700e-14, 1.23831664e-11, -1.23147665e-11,
2.48101513e-10, 7.60469009e-11, -3.24148303e-10,
0.00000000e+00, -6.09260685e-10, 6.09260567e-10]))
('conv_angle', 80.494502387153815)
('Site fractions', array([ 8.59886911e-01, 3.43231541e-02, 1.05789935e-01,
5.16059093e-06, 9.97090612e-01, 2.90422768e-03,
2.68085841e-01, 1.91386659e-01, 5.40527500e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.23564983, 0.76435017]))
('Chemical potentials', array([-41169.8727861 , -38991.93931383, -42580.61104133]))
('Chem pot progress', array([ -6.54579344e-06, 1.30345506e-05, -1.39600161e-06]))
('Energy progress', 4.169123712927103e-09)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.27189509 0.18253851 0.5455664 ], NP=1.0), 0.003713945443450939), (CompositionSet(BCC_A2, [ 0.20100353 0.37764335 0.42135312], NP=1.0), 11.76660051626095), (CompositionSet(BCC_A2, [ 0.20100354 0.37764334 0.42135312], NP=1.0), 11.766600516246399), (CompositionSet(BCC_A2, [ 0.2718951 0.18253848 0.54556641], NP=1.0), 0.003713945421623066), (CompositionSet(BCC_A2, [ 0.20100353 0.37764335 0.42135312], NP=1.0), 11.766600516246399), (CompositionSet(BCC_A2, [ 0.20100357 0.37764326 0.42135318], NP=1.0), 11.766600516239123), (CompositionSet(BCC_A2, [ 0.27189507 0.18253855 0.54556638], NP=1.0), 0.003713945443450939), (CompositionSet(BCC_A2, [ 0.27189507 0.18253856 0.54556637], NP=1.0), 0.0037139454361749813), (CompositionSet(BCC_A2, [ 0.20100354 0.37764334 0.42135312], NP=1.0), 11.766600516253675), (CompositionSet(BCC_A2, [ 0.20100354 0.37764334 0.42135312], NP=1.0), 11.76660051626095)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57325966 0.35524564 0.0714947 ], NP=1.0), 2.1827872842550278e-11), (CompositionSet(LAVES_C15, [ 0.57325966 0.35524564 0.0714947 ], NP=1.0), -1.4551915228366852e-11)], 'HCP_A3': []})
Adding CompositionSet(LAVES_C15, [ 0.57325966 0.35524564 0.0714947 ], NP=0.23440235404000542)
Adding CompositionSet(BCC_A2, [ 0.20100357 0.37764326 0.42135318], NP=0.03576823717109519)
Adding CompositionSet(BCC_A2, [ 0.2718951 0.18253848 0.54556641], NP=0.7298294087888993)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57325966 0.35524564 0.0714947 ], NP=0.23440235404000542), CompositionSet(BCC_A2, [ 0.20100357 0.37764326 0.42135318], NP=0.03576823717109519), CompositionSet(BCC_A2, [ 0.2718951 0.18253848 0.54556641], NP=0.7298294087888993)])
('reduced_hessian eigenvalues', array([ 2.66782327e+00, 8.64234792e+01, 8.63985636e+02,
3.01072627e+03, 5.56569381e+03, 2.22015107e+04,
9.66081833e+04, 7.26289568e+07]))
('NEW_L_MULTIPLIERS', array([ -1339.0606168 , -3958.94101624, 16803.78302464, -45591.92500334,
-11448.37703878, 22452.1749642 , -41029.81183516, -39209.94606346,
-42622.56720622]))
('L_CONSTRAINTS', array([ 6.93889390e-17, 7.67615138e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 2.77555756e-17, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -41275.989118329744, 7.6761513811973714e-17)
('sublsum', -20.138398894731388)
(1.0, -27278.807438263964, 0.58213527594979197)
(0.5, -35640.530913341951, 0.2597202852187554)
(0.25, -39929.762364244554, 0.067465082609085486)
(0.125, -40941.184010024692, 0.016866270652271337)
(0.0625, -41193.078532554893, 0.0042165676630678273)
(0.03125, -41255.627013079422, 0.0010541419157669429)
(0, -41275.989118329744, 7.6761513811973714e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57325966 0.35524564 0.0714947 ], NP=0.23440235404000542), CompositionSet(BCC_A2, [ 0.20100357 0.37764326 0.42135318], NP=0.03576823717109519), CompositionSet(BCC_A2, [ 0.2718951 0.18253848 0.54556641], NP=0.7298294087888993)])
('step', array([ 4.71140285e-03, -1.94847742e-03, -2.76292543e-03,
8.04819856e-08, 2.22031886e-05, -2.22836706e-05,
3.38431441e-01, -1.01023780e+00, 6.71806356e-01,
0.00000000e+00, 1.73541010e-01, -3.93509075e-01,
2.19968066e-01, 0.00000000e+00, -6.01584014e-02,
1.71201066e+00, -1.65185226e+00]))
('conv_angle', 89.994324870615401)
('Site fractions', array([ 8.59886914e-01, 3.43231512e-02, 1.05789934e-01,
5.16059076e-06, 9.97090612e-01, 2.90422744e-03,
2.01003566e-01, 3.77643259e-01, 4.21353175e-01,
1.00000000e+00, 2.71895103e-01, 1.82538482e-01,
5.45566415e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.23440235, 0.03576824, 0.72982941]))
('Chemical potentials', array([-41029.81183516, -39209.94606346, -42622.56720622]))
('Chem pot progress', array([ 110.12801627, -169.43710032, -43.28230548]))
('Energy progress', 0.0)
('Driving force', 20.138398894858256)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57325966 0.35524564 0.0714947 ], NP=0.23440235404000542), CompositionSet(BCC_A2, [ 0.20100357 0.37764326 0.42135318], NP=0.03576823717109519), CompositionSet(BCC_A2, [ 0.2718951 0.18253848 0.54556641], NP=0.7298294087888993)])
('reduced_hessian eigenvalues', array([ -7.58228232e+01, 1.90281437e+02, 8.70219852e+02,
3.07126127e+03, 5.50218940e+03, 2.21951849e+04,
9.66063714e+04, 7.26289604e+07]))
('reduced_hessian modified eigenvalues', array([ 7.58228232e+01, 1.90281437e+02, 8.70219852e+02,
3.07126127e+03, 5.50218940e+03, 2.21951849e+04,
9.66063714e+04, 7.26289604e+07]))
('NEW_L_MULTIPLIERS', array([ -1747.64067772, -5246.02485231, 882.0630675 , -2373.76618941,
5593.29315269, -18421.0641895 , -41152.25409678, -39018.19359441,
-42597.5139679 ]))
('L_CONSTRAINTS', array([ 6.93889390e-17, 7.67615138e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 2.77555756e-17, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -41275.989118329744, 7.6761513811973714e-17)
('sublsum', -0.65263715246345222)
(1.0, -41274.546819749688, 0.00094035013221333008)
(0.5, -41275.806916510322, 0.00023508753305331864)
(0.25, -41276.027229920539, 5.87718832633366e-05)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 0.57337679 0.35520864 0.07141457], NP=0.23349002532820767), CompositionSet(BCC_A2, [ 0.20504324 0.37048029 0.42447647], NP=0.04963864220784692), CompositionSet(BCC_A2, [ 0.27338352 0.17940934 0.54720713], NP=0.7168713324639454)])
('step', array([ 7.02737406e-04, -2.26904100e-04, -4.75833305e-04,
-4.35353617e-10, 9.84306177e-06, -9.84262642e-06,
1.61587035e-02, -2.86518695e-02, 1.24931660e-02,
0.00000000e+00, 5.95367576e-03, -1.25165560e-02,
6.56288022e-03, 0.00000000e+00, -3.64931485e-03,
5.54816201e-02, -5.18323053e-02]))
('conv_angle', 89.815006670473963)
('Site fractions', array([ 8.60062599e-01, 3.42664252e-02, 1.05670976e-01,
5.16048193e-06, 9.97093073e-01, 2.90176678e-03,
2.05043242e-01, 3.70480292e-01, 4.24476467e-01,
1.00000000e+00, 2.73383522e-01, 1.79409343e-01,
5.47207135e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.23349003, 0.04963864, 0.71687133]))
('Chemical potentials', array([-41152.25409678, -39018.19359441, -42597.5139679 ]))
('Chem pot progress', array([-122.44226162, 191.75246905, 25.05323832]))
('Energy progress', -0.3130672676343238)
('Driving force', 6.7371521291788667)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57337679 0.35520864 0.07141457], NP=0.23349002532820767), CompositionSet(BCC_A2, [ 0.20504324 0.37048029 0.42447647], NP=0.04963864220784692), CompositionSet(BCC_A2, [ 0.27338352 0.17940934 0.54720713], NP=0.7168713324639454)])
('reduced_hessian eigenvalues', array([ 1.75218231e+01, 8.40510704e+01, 1.17342173e+03,
3.03274884e+03, 5.57051904e+03, 2.21391933e+04,
9.62984179e+04, 7.23322902e+07]))
('NEW_L_MULTIPLIERS', array([ -1676.75662146, -5025.82156309, 3565.37735682, -9647.57702801,
2647.99412053, -11589.16660679, -41141.78593428, -39036.75225936,
-42583.41469079]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 5.94142791e-17, 5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
3.66380399e-05, -5.87718833e-05, 2.21338433e-05]))
('penalty', 10000)
('old_driving_force', -41274.971122353636, 5.87718832633366e-05)
('sublsum', -3.6658430730977734)
(1.0, -40836.365018237942, 0.021776268800074744)
(0.5, -41168.382595005678, 0.0054146812583870385)
(0.25, -41250.485810954742, 0.0013169378875571847)
(0.125, -41270.77922626787, 0.00028882880214578521)
(0.0625, -41275.765428871702, 2.9964909440932663e-05)
('alpha', 0.0625)
('Phases', [CompositionSet(LAVES_C15, [ 0.57340603 0.35519416 0.07139981], NP=0.23271611750823146), CompositionSet(BCC_A2, [ 0.20472003 0.36982528 0.42545469], NP=0.06967777778511913), CompositionSet(BCC_A2, [ 0.2756274 0.1743132 0.55005939], NP=0.6976061047066494)])
('step', array([ 7.01870538e-04, -3.46341002e-04, -3.55529536e-04,
2.33053362e-08, -2.45608979e-06, 2.43278446e-06,
-5.17140602e-03, -1.04802319e-02, 1.56516379e-02,
0.00000000e+00, 3.59020702e-02, -8.15382140e-02,
4.56361438e-02, 0.00000000e+00, -1.23825251e-02,
3.20626169e-01, -3.08243644e-01]))
('conv_angle', 89.966945302902289)
('Site fractions', array([ 8.60106466e-01, 3.42447788e-02, 1.05648756e-01,
5.16193851e-06, 9.97092919e-01, 2.90191883e-03,
2.04720029e-01, 3.69825277e-01, 4.25454694e-01,
1.00000000e+00, 2.75627401e-01, 1.74313205e-01,
5.50059394e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.23271612, 0.06967778, 0.6976061 ]))
('Chemical potentials', array([-41141.78593428, -39036.75225936, -42583.41469079]))
('Chem pot progress', array([ 10.4681625 , -18.55866494, 14.0992771 ]))
('Energy progress', 0.021561381152423564)
('Driving force', 1.1638272892087116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57340603 0.35519416 0.07139981], NP=0.23271611750823146), CompositionSet(BCC_A2, [ 0.20472003 0.36982528 0.42545469], NP=0.06967777778511913), CompositionSet(BCC_A2, [ 0.2756274 0.1743132 0.55005939], NP=0.6976061047066494)])
('reduced_hessian eigenvalues', array([ 2.81974210e+01, 1.25973719e+02, 1.60171806e+03,
3.12182730e+03, 5.59515863e+03, 2.20529425e+04,
9.59456141e+04, 7.20488481e+07]))
('NEW_L_MULTIPLIERS', array([ -1714.92988776, -5139.99488692, 2300.78260874, -6244.06129818,
4041.03672308, -14766.0974271 , -41140.51400052, -39038.63115452,
-42584.36841883]))
('L_CONSTRAINTS', array([ 1.52655666e-16, 2.03830008e-17, -5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-1.53802247e-05, 2.99649094e-05, -1.45846847e-05]))
('penalty', 10000)
('old_driving_force', -41275.765366917978, 2.9964909440932663e-05)
('sublsum', -1.7747950820260214)
(1.0, -41247.596073555695, 0.0014360724146049164)
(0.5, -41269.57526815321, 0.0003667082160231927)
(0.25, -41274.711685160502, 0.00010128969447076308)
(0.125, -41275.85274170497, 3.5896328129170207e-05)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57346635 0.3551654 0.07136824], NP=0.2318926409027384), CompositionSet(BCC_A2, [ 0.20594096 0.36492537 0.42913367], NP=0.09089042651107003), CompositionSet(BCC_A2, [ 0.27799573 0.16907527 0.552929 ], NP=0.6772169325861915)])
('step', array([ 7.23870181e-04, -3.44448270e-04, -3.79421911e-04,
2.15235040e-08, -1.25840218e-06, 1.23687867e-06,
9.76747979e-03, -3.91992730e-02, 2.94317932e-02,
0.00000000e+00, 1.89466138e-02, -4.19034914e-02,
2.29568776e-02, 0.00000000e+00, -6.58781284e-03,
1.69701190e-01, -1.63113377e-01]))
('conv_angle', 89.943898207150113)
('Site fractions', array([ 8.60196949e-01, 3.42017228e-02, 1.05601328e-01,
5.16462895e-06, 9.97092762e-01, 2.90207344e-03,
2.05940964e-01, 3.64925368e-01, 4.29133668e-01,
1.00000000e+00, 2.77995728e-01, 1.69075268e-01,
5.52929004e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.23189264, 0.09089043, 0.67721693]))
('Chemical potentials', array([-41140.51400052, -39038.63115452, -42584.36841883]))
('Chem pot progress', array([ 1.27193377, -1.87889517, -0.95372803]))
('Energy progress', -0.23869177052256418)
('Driving force', 1.3676775432541035)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57346635 0.3551654 0.07136824], NP=0.2318926409027384), CompositionSet(BCC_A2, [ 0.20594096 0.36492537 0.42913367], NP=0.09089042651107003), CompositionSet(BCC_A2, [ 0.27799573 0.16907527 0.552929 ], NP=0.6772169325861915)])
('reduced_hessian eigenvalues', array([ 4.05586974e+01, 1.54821319e+02, 1.98201638e+03,
3.26696095e+03, 5.63720568e+03, 2.19755009e+04,
9.55714402e+04, 7.17306678e+07]))
('NEW_L_MULTIPLIERS', array([ -1726.48614422, -5174.98815999, 1844.97039279, -5009.60312533,
4530.07803898, -15935.08391642, -41141.35600286, -39037.52452351,
-42583.08512249]))
('L_CONSTRAINTS', array([ 1.52655666e-16, 2.94902991e-17, 0.00000000e+00,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
-3.58963281e-05, 2.91001124e-05, 6.79621577e-06]))
('penalty', 10000)
('old_driving_force', -41275.852812854406, 3.5896328129170207e-05)
('sublsum', -0.91808090866111225)
(1.0, -41259.216349502836, 0.00088144733404310616)
(0.5, -41272.194156506557, 0.0002349118896894653)
(0.25, -41275.23053403166, 7.6915542645716872e-05)
(0.125, -41275.821007676066, 4.28501549487037e-05)
(0.0625, -41275.896032281067, 3.6513024580020481e-05)
('alpha', 0.0625)
('Phases', [CompositionSet(LAVES_C15, [ 0.5734912 0.35515317 0.07135564], NP=0.23162867466695325), CompositionSet(BCC_A2, [ 0.20620535 0.36391833 0.42987632], NP=0.09721147623438663), CompositionSet(BCC_A2, [ 0.27874277 0.16745643 0.55380081], NP=0.6711598490986601)])
('step', array([ 5.96182096e-04, -2.92685781e-04, -3.03496315e-04,
1.95930817e-08, -1.96951443e-06, 1.94992134e-06,
4.23025084e-03, -1.61126212e-02, 1.18823703e-02,
0.00000000e+00, 1.19526470e-02, -2.59014853e-02,
1.39488382e-02, 0.00000000e+00, -4.22345977e-03,
1.01136796e-01, -9.69133358e-02]))
('conv_angle', 89.917357136617255)
('Site fractions', array([ 8.60234211e-01, 3.41834299e-02, 1.05582359e-01,
5.16585352e-06, 9.97092639e-01, 2.90219531e-03,
2.06205354e-01, 3.63918329e-01, 4.29876316e-01,
1.00000000e+00, 2.78742769e-01, 1.67456426e-01,
5.53800806e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.23162867, 0.09721148, 0.67115985]))
('Chemical potentials', array([-41141.35600286, -39037.52452351, -42583.08512249]))
('Chem pot progress', array([-0.84200234, 1.10663101, 1.28329634]))
('Energy progress', -0.050683068235230166)
('Driving force', 0.79199127727042651)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5734912 0.35515317 0.07135564], NP=0.23162867466695325), CompositionSet(BCC_A2, [ 0.20620535 0.36391833 0.42987632], NP=0.09721147623438663), CompositionSet(BCC_A2, [ 0.27874277 0.16745643 0.55380081], NP=0.6711598490986601)])
('reduced_hessian eigenvalues', array([ 4.38677146e+01, 1.64983942e+02, 2.07720564e+03,
3.32442967e+03, 5.65762420e+03, 2.19551832e+04,
9.54495938e+04, 7.16245336e+07]))
('NEW_L_MULTIPLIERS', array([ -1728.04756781, -5179.61410177, 1776.47953445, -4824.30673324,
4603.06069309, -16111.70167933, -41141.3040217 , -39037.66111773,
-42582.80038503]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 8.67361738e-18, -1.11022302e-16,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
-3.65130246e-05, 3.07245090e-05, 5.78851560e-06]))
('penalty', 10000)
('old_driving_force', -41275.896027834497, 3.6513024580020481e-05)
('sublsum', -0.7527581569573043)
(1.0, -41260.992170221347, 0.00079426749104066774)
(0.5, -41272.614346213712, 0.00021392912725198832)
(0.25, -41275.335284583845, 7.2685099927777275e-05)
(0.125, -41275.887878715272, 4.1318656255007191e-05)
(0.0625, -41275.94036498075, 3.6573400480688356e-05)
('alpha', 0.0625)
('Phases', [CompositionSet(LAVES_C15, [ 0.57351448 0.35514162 0.0713439 ], NP=0.2313939672344475), CompositionSet(BCC_A2, [ 0.20641171 0.36312225 0.43046604], NP=0.10269305119793831), CompositionSet(BCC_A2, [ 0.27940375 0.16603393 0.55456232], NP=0.6659129815676141)])
('step', array([ 5.58852120e-04, -2.76155854e-04, -2.82696266e-04,
1.87607158e-08, -2.05117458e-06, 2.03241386e-06,
3.30163061e-03, -1.27372601e-02, 9.43562949e-03,
0.00000000e+00, 1.05757823e-02, -2.27599787e-02,
1.21841964e-02, 0.00000000e+00, -3.75531892e-03,
8.77051994e-02, -8.39498805e-02]))
('conv_angle', 89.909738583898104)
('Site fractions', array([ 8.60269139e-01, 3.41661702e-02, 1.05564691e-01,
5.16702606e-06, 9.97092511e-01, 2.90232234e-03,
2.06411706e-01, 3.63122251e-01, 4.30466043e-01,
1.00000000e+00, 2.79403755e-01, 1.66033927e-01,
5.54562318e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.23139397, 0.10269305, 0.66591298]))
('Chemical potentials', array([-41141.3040217 , -39037.66111773, -42582.80038503]))
('Chem pot progress', array([ 0.05198115, -0.13659422, 0.28473747]))
('Energy progress', -0.04144018707302166)
('Driving force', 0.63775702742714202)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57351448 0.35514162 0.0713439 ], NP=0.2313939672344475), CompositionSet(BCC_A2, [ 0.20641171 0.36312225 0.43046604], NP=0.10269305119793831), CompositionSet(BCC_A2, [ 0.27940375 0.16603393 0.55456232], NP=0.6659129815676141)])
('reduced_hessian eigenvalues', array([ 4.67402327e+01, 1.73885517e+02, 2.15211206e+03,
3.38001534e+03, 5.67402570e+03, 2.19371783e+04,
9.53411912e+04, 7.15292923e+07]))
('NEW_L_MULTIPLIERS', array([ -1729.34927697, -5183.46259148, 1723.0400672 , -4679.73563721,
4660.6358151 , -16248.2944365 , -41141.2241026 , -39037.82577415,
-42582.61325026]))
('L_CONSTRAINTS', array([ 8.32667268e-17, -2.68882139e-17, -5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-3.65734005e-05, 3.19068346e-05, 4.66656592e-06]))
('penalty', 10000)
('old_driving_force', -41275.940357677442, 3.6573400480688356e-05)
('sublsum', -0.62063977402893622)
(1.0, -41263.972592621169, 0.00064621127102171272)
(0.5, -41273.343760887285, 0.00017750623503495766)
(0.25, -41275.519876020138, 6.4318330358165143e-05)
(0.125, -41275.956363920697, 3.9401016245332876e-05)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57355822 0.35511981 0.07132196], NP=0.23097512777921558), CompositionSet(BCC_A2, [ 0.20676335 0.36177586 0.43146079], NP=0.11227756371649669), CompositionSet(BCC_A2, [ 0.28057676 0.16352539 0.55589785], NP=0.6567473085042876)])
('step', array([ 5.24900973e-04, -2.60638094e-04, -2.64262879e-04,
1.79142684e-08, -2.06799624e-06, 2.05008197e-06,
2.81318252e-03, -1.07711355e-02, 7.95795294e-03,
0.00000000e+00, 9.38400710e-03, -2.00682945e-02,
1.06842874e-02, 0.00000000e+00, -3.35071564e-03,
7.66761001e-02, -7.33253845e-02]))
('conv_angle', 89.90256524790793)
('Site fractions', array([ 8.60334752e-01, 3.41335904e-02, 1.05531658e-01,
5.16926534e-06, 9.97092252e-01, 2.90257860e-03,
2.06763354e-01, 3.61775859e-01, 4.31460787e-01,
1.00000000e+00, 2.80576756e-01, 1.63525390e-01,
5.55897854e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.23097513, 0.11227756, 0.65674731]))
('Chemical potentials', array([-41141.2241026 , -39037.82577415, -42582.61325026]))
('Chem pot progress', array([ 0.0799191 , -0.16465642, 0.18713476]))
('Energy progress', -0.05498022134270286)
('Driving force', 0.49543630735570332)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57355822 0.35511981 0.07132196], NP=0.23097512777921558), CompositionSet(BCC_A2, [ 0.20676335 0.36177586 0.43146079], NP=0.11227756371649669), CompositionSet(BCC_A2, [ 0.28057676 0.16352539 0.55589785], NP=0.6567473085042876)])
('reduced_hessian eigenvalues', array([ 5.18390971e+01, 1.91455046e+02, 2.26535631e+03,
3.48912981e+03, 5.70756265e+03, 2.19081105e+04,
9.51479289e+04, 7.13577660e+07]))
('NEW_L_MULTIPLIERS', array([ -1731.19860177, -5188.9135335 , 1649.20256641, -4479.90632436,
4740.12732224, -16437.87657276, -41141.08028895, -39038.11110939,
-42582.33248988]))
('L_CONSTRAINTS', array([ 6.93889390e-17, 6.67868538e-17, -1.11022302e-16,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
-3.94010162e-05, 3.80155313e-05, 1.38548490e-06]))
('penalty', 10000)
('old_driving_force', -41275.956347796106, 3.9401016245332876e-05)
('sublsum', -0.42432288108876665)
(1.0, -41268.365969901475, 0.00042746930065398758)
(0.5, -41274.380852225695, 0.00012587509083791804)
(0.25, -41275.731975130766, 5.5228479802521546e-05)
(0.125, -41275.995156061195, 3.9942797752962056e-05)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 0.5735967 0.35510047 0.07130283], NP=0.23063871237646816), CompositionSet(BCC_A2, [ 0.20702426 0.36078796 0.43218778], NP=0.11970561606301085), CompositionSet(BCC_A2, [ 0.28151106 0.16154971 0.55693924], NP=0.649655671560521)])
('step', array([ 4.61661804e-04, -2.31071385e-04, -2.30590419e-04,
1.61702649e-08, -2.02664293e-06, 2.01047267e-06,
2.08721365e-03, -7.90316414e-03, 5.81595049e-03,
0.00000000e+00, 7.47439768e-03, -1.58054803e-02,
8.33108266e-03, 0.00000000e+00, -2.69132322e-03,
5.94244188e-02, -5.67330956e-02]))
('conv_angle', 89.888962501499861)
('Site fractions', array([ 8.60392459e-01, 3.41047065e-02, 1.05502834e-01,
5.17128663e-06, 9.97091999e-01, 2.90282991e-03,
2.07024256e-01, 3.60787963e-01, 4.32187781e-01,
1.00000000e+00, 2.81511055e-01, 1.61549705e-01,
5.56939240e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.23063871, 0.11970562, 0.64965567]))
('Chemical potentials', array([-41141.08028895, -39038.11110939, -42582.33248988]))
('Chem pot progress', array([ 0.14381366, -0.28533524, 0.28076038]))
('Energy progress', -0.042489730847592)
('Driving force', 0.34181203336629551)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5735967 0.35510047 0.07130283], NP=0.23063871237646816), CompositionSet(BCC_A2, [ 0.20702426 0.36078796 0.43218778], NP=0.11970561606301085), CompositionSet(BCC_A2, [ 0.28151106 0.16154971 0.55693924], NP=0.649655671560521)])
('reduced_hessian eigenvalues', array([ 5.53691334e+01, 2.06084185e+02, 2.33784780e+03,
3.58193433e+03, 5.73454547e+03, 2.18876020e+04,
9.49921103e+04, 7.12175074e+07]))
('NEW_L_MULTIPLIERS', array([ -1732.20075637, -5191.85318669, 1609.57382162, -4372.7572018 ,
4782.69083056, -16539.24197048, -41140.97493149, -39038.311476 ,
-42582.16949096]))
('L_CONSTRAINTS', array([ 8.32667268e-17, -4.77048956e-17, -1.11022302e-16,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-3.91765548e-05, 3.99427978e-05, -7.66242988e-07]))
('penalty', 10000)
('old_driving_force', -41275.99514380555, 3.9942797752962056e-05)
('sublsum', -0.30126976013789175)
(1.0, -41271.127818299086, 0.00028968959979255859)
(0.5, -41275.056132912883, 9.2393798824669249e-05)
(0.25, -41275.898252904728, 4.8062698301792883e-05)
(0.125, -41276.039722010362, 3.947634803067035e-05)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 0.57363054 0.35508337 0.07128609], NP=0.2303605715780622), CompositionSet(BCC_A2, [ 0.20723282 0.36000765 0.43275953], NP=0.125691050371232), CompositionSet(BCC_A2, [ 0.28227947 0.15993911 0.55778143], NP=0.6439483780507058)])
('step', array([ 4.06119440e-04, -2.04275411e-04, -2.01844029e-04,
1.44478244e-08, -1.88966330e-06, 1.87521547e-06,
1.66850960e-03, -6.24250106e-03, 4.57399146e-03,
0.00000000e+00, 6.14727972e-03, -1.28847809e-02,
6.73750121e-03, 0.00000000e+00, -2.22512639e-03,
4.78834745e-02, -4.56583481e-02]))
('conv_angle', 89.878528364621076)
('Site fractions', array([ 8.60443224e-01, 3.40791721e-02, 1.05477604e-01,
5.17309260e-06, 9.97091763e-01, 2.90306431e-03,
2.07232820e-01, 3.60007651e-01, 4.32759530e-01,
1.00000000e+00, 2.82279465e-01, 1.59939107e-01,
5.57781427e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.23036057, 0.12569105, 0.64394838]))
('Chemical potentials', array([-41140.97493149, -39038.311476 , -42582.16949096]))
('Chem pot progress', array([ 0.10535746, -0.20036662, 0.16299892]))
('Energy progress', -0.03437948982900707)
('Driving force', 0.24674832657183288)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57363054 0.35508337 0.07128609], NP=0.2303605715780622), CompositionSet(BCC_A2, [ 0.20723282 0.36000765 0.43275953], NP=0.125691050371232), CompositionSet(BCC_A2, [ 0.28227947 0.15993911 0.55778143], NP=0.6439483780507058)])
('reduced_hessian eigenvalues', array([ 5.85367551e+01, 2.19772648e+02, 2.38802467e+03,
3.66208165e+03, 5.76558504e+03, 2.18709865e+04,
9.48636312e+04, 7.11000645e+07]))
('NEW_L_MULTIPLIERS', array([ -1732.92348635, -5193.96949321, 1581.17963697, -4295.95431653,
4813.46269618, -16611.82160358, -41140.891787 , -39038.46733057,
-42582.05225034]))
('L_CONSTRAINTS', array([ 9.71445147e-17, -9.54097912e-18, -5.55111512e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-3.74260957e-05, 3.94763480e-05, -2.05025236e-06]))
('penalty', 10000)
('old_driving_force', -41276.039712505648, 3.947634803067035e-05)
('sublsum', -0.2155227864086621)
(1.0, -41273.021106676177, 0.00019517947991629092)
(0.5, -41275.537863279365, 6.8533043994400966e-05)
(0.25, -41276.040072661483, 4.1805978517744924e-05)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 0.57369005 0.35505317 0.07125678], NP=0.22989719265068298), CompositionSet(BCC_A2, [ 0.2075738 0.35874219 0.433684 ], NP=0.13542872937454078), CompositionSet(BCC_A2, [ 0.28355065 0.15729661 0.55915275], NP=0.6346740779747762)])
('step', array([ 3.57065952e-04, -1.80337899e-04, -1.76728053e-04,
1.28840478e-08, -1.74968816e-06, 1.73680411e-06,
1.36393626e-03, -5.06182357e-03, 3.69788731e-03,
0.00000000e+00, 5.08472275e-03, -1.05699947e-02,
5.48527199e-03, 0.00000000e+00, -1.85351571e-03,
3.89507160e-02, -3.70972003e-02]))
('conv_angle', 89.868619888380039)
('Site fractions', array([ 8.60532491e-01, 3.40340876e-02, 1.05433422e-01,
5.17631362e-06, 9.97091325e-01, 2.90349851e-03,
2.07573804e-01, 3.58742195e-01, 4.33684002e-01,
1.00000000e+00, 2.83550646e-01, 1.57296609e-01,
5.59152745e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.22989719, 0.13542873, 0.63467408]))
('Chemical potentials', array([-41140.891787 , -39038.46733057, -42582.05225034]))
('Chem pot progress', array([ 0.08314449, -0.15585457, 0.11724061]))
('Energy progress', -0.03745808156236308)
('Driving force', 0.15696902567287907)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57369005 0.35505317 0.07125678], NP=0.22989719265068298), CompositionSet(BCC_A2, [ 0.2075738 0.35874219 0.433684 ], NP=0.13542872937454078), CompositionSet(BCC_A2, [ 0.28355065 0.15729661 0.55915275], NP=0.6346740779747762)])
('reduced_hessian eigenvalues', array([ 6.30979684e+01, 2.42960423e+02, 2.45536758e+03,
3.79648880e+03, 5.81900368e+03, 2.18473648e+04,
9.46479432e+04, 7.09021407e+07]))
('NEW_L_MULTIPLIERS', array([ -1733.77674243, -5196.46181628, 1550.74227062, -4213.68346325,
4846.24547049, -16689.41611146, -41140.78364571, -39038.66845055,
-42581.90572621]))
('L_CONSTRAINTS', array([ 6.93889390e-17, 9.58434720e-17, 0.00000000e+00,
0.00000000e+00, 1.11022302e-16, 0.00000000e+00,
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('penalty', 10000)
('old_driving_force', -41276.040059531391, 4.1805978517744924e-05)
('sublsum', -0.10850751362663069)
(1.0, -41275.127785799843, 8.9939465661298401e-05)
(0.5, -41276.048631914004, 4.3387855674204001e-05)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 0.57378008 0.35500716 0.07121276], NP=0.22925717972831577), CompositionSet(BCC_A2, [ 0.20803676 0.35705135 0.43491189], NP=0.14845618516364903), CompositionSet(BCC_A2, [ 0.28530015 0.15370564 0.5609942 ], NP=0.6222866351080352)])
('step', array([ 2.70065885e-04, -1.37307077e-04, -1.32758808e-04,
9.96098781e-09, -1.42896123e-06, 1.41900024e-06,
9.25920949e-04, -3.38169908e-03, 2.45577813e-03,
0.00000000e+00, 3.49901365e-03, -7.18193244e-03,
3.68291878e-03, 0.00000000e+00, -1.28002584e-03,
2.60549116e-02, -2.47748857e-02]))
('conv_angle', 89.852146369516831)
('Site fractions', array([ 8.60667524e-01, 3.39654341e-02, 1.05367042e-01,
5.18129411e-06, 9.97090611e-01, 2.90420801e-03,
2.08036764e-01, 3.57051345e-01, 4.34911891e-01,
1.00000000e+00, 2.85300153e-01, 1.53705642e-01,
5.60994205e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.22925718, 0.14845619, 0.62228664]))
('Chemical potentials', array([-41140.78364571, -39038.66845055, -42581.90572621]))
('Chem pot progress', array([ 0.10814129, -0.20111998, 0.14652413]))
('Energy progress', -0.030880094214808196)
('Driving force', 0.063256412278860807)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57378008 0.35500716 0.07121276], NP=0.22925717972831577), CompositionSet(BCC_A2, [ 0.20803676 0.35705135 0.43491189], NP=0.14845618516364903), CompositionSet(BCC_A2, [ 0.28530015 0.15370564 0.5609942 ], NP=0.6222866351080352)])
('reduced_hessian eigenvalues', array([ 6.85366464e+01, 2.78309451e+02, 2.52514999e+03,
3.97553136e+03, 5.91155672e+03, 2.18199708e+04,
9.43478403e+04, 7.06228214e+07]))
('NEW_L_MULTIPLIERS', array([ -1734.36989372, -5198.18343929, 1529.41081286, -4156.10093977,
4869.33397549, -16743.65781534, -41140.69078069, -39038.83869348,
-42581.79011648]))
('L_CONSTRAINTS', array([ 6.93889390e-17, 2.60208521e-18, 0.00000000e+00,
0.00000000e+00, 1.11022302e-16, 0.00000000e+00,
-3.39813681e-05, 4.33878557e-05, -9.40648757e-06]))
('penalty', 10000)
('old_driving_force', -41276.04862028436, 4.3387855674204001e-05)
('sublsum', -0.022017435886413417)
(1.0, -41276.616739454534, 1.5516881873206545e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387149 0.35495997 0.07116855], NP=0.22869330979315214), CompositionSet(BCC_A2, [ 0.20844652 0.35558748 0.435966 ], NP=0.15927268053010046), CompositionSet(BCC_A2, [ 0.28682771 0.15065041 0.56252188], NP=0.6120340096767474)])
('step', array([ 1.37110592e-04, -7.03791749e-05, -6.67314167e-05,
5.23432077e-09, -8.12288859e-07, 8.07054538e-07,
4.09754992e-04, -1.46386317e-03, 1.05410818e-03,
0.00000000e+00, 1.52755783e-03, -3.05523128e-03,
1.52767345e-03, 0.00000000e+00, -5.63869935e-04,
1.08164954e-02, -1.02526254e-02]))
('conv_angle', 89.825894377724808)
('Site fractions', array([ 8.60804634e-01, 3.38950549e-02, 1.05300311e-01,
5.18652843e-06, 9.97089798e-01, 2.90501507e-03,
2.08446519e-01, 3.55587482e-01, 4.35965999e-01,
1.00000000e+00, 2.86827711e-01, 1.50650411e-01,
5.62521878e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.22869331, 0.15927268, 0.61203401]))
('Chemical potentials', array([-41140.69078069, -39038.83869348, -42581.79011648]))
('Chem pot progress', array([ 0.09286502, -0.17024293, 0.11560973]))
('Energy progress', -0.07673158241959754)
('Driving force', 0.010437928038300015)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57387149 0.35495997 0.07116855], NP=0.22869330979315214), CompositionSet(BCC_A2, [ 0.20844652 0.35558748 0.435966 ], NP=0.15927268053010046), CompositionSet(BCC_A2, [ 0.28682771 0.15065041 0.56252188], NP=0.6120340096767474)])
('reduced_hessian eigenvalues', array([ 7.23464150e+01, 3.12029628e+02, 2.57099843e+03,
4.11896468e+03, 5.99835564e+03, 2.18026787e+04,
9.40790069e+04, 7.03669374e+07]))
('NEW_L_MULTIPLIERS', array([ -1734.50886601, -5198.58550283, 1524.6540031 , -4143.29265974,
4874.5203425 , -16755.66773885, -41140.66643138, -39038.88269936,
-42581.7616591 ]))
('L_CONSTRAINTS', array([ 1.38777878e-17, -2.21177243e-17, -5.55111512e-17,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
-1.12809080e-05, 1.55168819e-05, -4.23597390e-06]))
('penalty', 10000)
('old_driving_force', -41276.61673837647, 1.5516881873206545e-05)
('sublsum', -3.9098745744656116e-05)
(1.0, -41276.926217659704, 4.3893705559128193e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.2287111148881787), CompositionSet(BCC_A2, [ 0.20844038 0.35561914 0.43594048], NP=0.15878048958422225), CompositionSet(BCC_A2, [ 0.28677622 0.1507758 0.56244799], NP=0.6125083955275991)])
('step', array([ 5.57621862e-07, -4.43525702e-07, -1.14096160e-07,
7.16276931e-11, -2.70337779e-08, 2.69621503e-08,
-6.13838941e-06, 3.16592927e-05, -2.55209033e-05,
0.00000000e+00, -5.14935282e-05, 1.25386429e-04,
-7.38929010e-05, 0.00000000e+00, 1.78050950e-05,
-4.92190946e-04, 4.74385851e-04]))
('conv_angle', 89.851014038116489)
('Site fractions', array([ 8.60805192e-01, 3.38946114e-02, 1.05300197e-01,
5.18660006e-06, 9.97089771e-01, 2.90504203e-03,
2.08440381e-01, 3.55619141e-01, 4.35940478e-01,
1.00000000e+00, 2.86776217e-01, 1.50775798e-01,
5.62447985e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.22871111, 0.15878049, 0.6125084 ]))
('Chemical potentials', array([-41140.66643138, -39038.88269936, -42581.7616591 ]))
('Chem pot progress', array([ 0.02434931, -0.04400587, 0.02845738]))
('Energy progress', -0.038612420787103474)
('Driving force', 2.5398723664693534e-05)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.2287111148881787), CompositionSet(BCC_A2, [ 0.20844038 0.35561914 0.43594048], NP=0.15878048958422225), CompositionSet(BCC_A2, [ 0.28677622 0.1507758 0.56244799], NP=0.6125083955275991)])
('reduced_hessian eigenvalues', array([ 7.20418660e+01, 3.09797417e+02, 2.56848135e+03,
4.11279460e+03, 5.99289544e+03, 2.18046028e+04,
9.40860319e+04, 7.03719986e+07]))
('NEW_L_MULTIPLIERS', array([ -1734.50813234, -5198.58326833, 1524.65558927, -4143.2967828 ,
4874.519065 , -16755.66646671, -41140.66637034, -39038.88281234,
-42581.76158786]))
('L_CONSTRAINTS', array([ 5.55111512e-17, -3.42607887e-17, 0.00000000e+00,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
-2.13999221e-08, 4.38937056e-08, -2.24937834e-08]))
('penalty', 10000)
('old_driving_force', -41276.926217659697, 4.3893705559128193e-08)
('sublsum', -1.2795102393043525e-10)
(1.0, -41276.927095532963, 4.5879966492634594e-14)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=0.22871101682380804), CompositionSet(BCC_A2, [ 0.20844033 0.35561937 0.43594031], NP=0.1587806497750314), CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=0.6125083334011605)])
('step', array([ 7.52524308e-10, -8.73753739e-10, 1.21229375e-10,
1.34004719e-13, -5.24196728e-11, 5.22857024e-11,
-5.50818518e-08, 2.27221579e-07, -1.72139727e-07,
0.00000000e+00, 1.15481893e-07, -1.51223554e-07,
3.57416611e-08, 0.00000000e+00, -9.80643707e-08,
1.60190809e-07, -6.21264386e-08]))
('conv_angle', 87.468225477297054)
('Site fractions', array([ 8.60805193e-01, 3.38946105e-02, 1.05300197e-01,
5.18660019e-06, 9.97089771e-01, 2.90504208e-03,
2.08440326e-01, 3.55619368e-01, 4.35940306e-01,
1.00000000e+00, 2.86776333e-01, 1.50775646e-01,
5.62448021e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.22871102, 0.15878065, 0.61250833]))
('Chemical potentials', array([-41140.66637034, -39038.88281234, -42581.76158786]))
('Chem pot progress', array([ 6.10391580e-05, -1.12987895e-04, 7.12384062e-05]))
('Energy progress', -0.00012467068154364824)
('Driving force', 5.0931703299283981e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=1.0), -6.548361852765083e-11), (CompositionSet(BCC_A2, [ 0.20844034 0.35561931 0.43594035], NP=1.0), -1.0186340659856796e-10), (CompositionSet(BCC_A2, [ 0.20844034 0.35561934 0.43594033], NP=1.0), -1.0186340659856796e-10), (CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=1.0), -7.275957614183426e-11), (CompositionSet(BCC_A2, [ 0.20844032 0.35561935 0.43594032], NP=1.0), -8.731149137020111e-11), (CompositionSet(BCC_A2, [ 0.20844032 0.35561937 0.4359403 ], NP=1.0), -1.0913936421275139e-10), (CompositionSet(BCC_A2, [ 0.28677633 0.15077565 0.56244802], NP=1.0), -5.093170329928398e-11), (CompositionSet(BCC_A2, [ 0.20844031 0.35561941 0.43594028], NP=1.0), -1.0913936421275139e-10), (CompositionSet(BCC_A2, [ 0.20844033 0.35561935 0.43594032], NP=1.0), -9.458744898438454e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=1.0), -2.9103830456733704e-11), (CompositionSet(LAVES_C15, [ 0.57387186 0.35495966 0.07116848], NP=1.0), 3.637978807091713e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.26127701 0.02631666 0.71240633], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6738.06414286, -28340.20341438, -41631.03620442, -40189.72593991,
-42405.96693312]))
('L_CONSTRAINTS', array([ 0. , 0. , 0.05291516, 0.01105566, -0.06397082]))
('penalty', 10000)
('old_driving_force', -40492.698034969195, 0.063970821902353481)
('sublsum', -127.38352944154023)
(1.0, -41831.097294951433, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0)])
('step', array([ -5.29151645e-02, -1.10556574e-02, 6.39708219e-02,
0.00000000e+00, 1.92579284e-17]))
('conv_angle', 43.513932790496717)
('Site fractions', array([ 0.3 , 0.08, 0.62, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41631.03620442, -40189.72593991, -42405.96693312]))
('Chem pot progress', array([ 959.45766414, -873.85935423, -868.85958957]))
('Energy progress', -155.67325453022204)
('Driving force', 165.09114010143094)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6464.69985924, -28332.84734134, -41615.66064141, -40139.15042203,
-42153.65656253]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -41831.097294951433, 0.0)
('sublsum', 0.0)
(1.0, -41831.097294951433, 0.0)
(0.5, -41831.097294951433, 0.0)
(0.25, -41831.097294951433, 0.0)
(0.125, -41831.097294951433, 0.0)
(0.0625, -41831.097294951433, 0.0)
(0.03125, -41831.097294951433, 0.0)
(0, -41831.097294951433, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.3 , 0.08, 0.62, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41615.66064141, -40139.15042203, -42153.65656253]))
('Chem pot progress', array([ 15.37556301, 50.57551788, 252.31037059]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6464.69985924, -28332.84734134, -41615.66064141, -40139.15042203,
-42153.65656253]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 1000.0)
('old_driving_force', -41831.097294951433, 0.0)
('sublsum', 0.0)
(1.0, -41831.097294951433, 0.0)
(0.5, -41831.097294951433, 0.0)
(0.25, -41831.097294951433, 0.0)
(0.125, -41831.097294951433, 0.0)
(0.0625, -41831.097294951433, 0.0)
(0.03125, -41831.097294951433, 0.0)
(0, -41831.097294951433, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.3 , 0.08, 0.62, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41615.66064141, -40139.15042203, -42153.65656253]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.3 0.07999999 0.62000001], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.3 0.08 0.62], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.30000001 0.07999998 0.62000001], NP=1.0), 0.0)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.26127701 0.02631666 0.71240633], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6747.5134483 , -28402.31980854, -41891.62074245, -40260.77582846,
-42300.19890093]))
('L_CONSTRAINTS', array([ 0. , 0. , 0.06291516, 0.01105566, -0.07397082]))
('penalty', 10000)
('old_driving_force', -40275.443371677109, 0.07397082190235349)
('sublsum', -173.72794489758837)
(1.0, -41834.177821219913, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0)])
('step', array([ -6.29151645e-02, -1.10556574e-02, 7.39708219e-02,
0.00000000e+00, 2.65203905e-17]))
('conv_angle', 41.973202444375346)
('Site fractions', array([ 0.29, 0.08, 0.63, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41891.62074245, -40260.77582846, -42300.19890093]))
('Chem pot progress', array([ 698.87312611, -944.90924278, -763.09155739]))
('Energy progress', -169.28764604884054)
('Driving force', 184.37956795495847)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6421.19125624, -28390.42608739, -41923.39685277, -40218.99343932,
-41998.21152186]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -41834.177821219913, 0.0)
('sublsum', 0.0)
(1.0, -41834.177821219913, 0.0)
(0.5, -41834.177821219913, 0.0)
(0.25, -41834.177821219913, 0.0)
(0.125, -41834.177821219913, 0.0)
(0.0625, -41834.177821219913, 0.0)
(0.03125, -41834.177821219913, 0.0)
(0, -41834.177821219913, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.29, 0.08, 0.63, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41923.39685277, -40218.99343932, -41998.21152186]))
('Chem pot progress', array([ -31.77611032, 41.78238914, 301.98737907]))
('Energy progress', 0.0)
('Driving force', 7.2759576141834259e-12)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6421.19125624, -28390.42608739, -41923.39685277, -40218.99343932,
-41998.21152186]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 1000.0)
('old_driving_force', -41834.177821219913, 0.0)
('sublsum', 0.0)
(1.0, -41834.177821219913, 0.0)
(0.5, -41834.177821219913, 0.0)
(0.25, -41834.177821219913, 0.0)
(0.125, -41834.177821219913, 0.0)
(0.0625, -41834.177821219913, 0.0)
(0.03125, -41834.177821219913, 0.0)
(0, -41834.177821219913, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.29, 0.08, 0.63, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41923.39685277, -40218.99343932, -41998.21152186]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.29 0.07999999 0.63000001], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.29000001 0.07999999 0.63 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.29 0.08 0.63], NP=1.0), 2.1827872842550278e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.26127701 0.02631666 0.71240633], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6978.58060249, -28235.76909263, -41794.83912433, -40004.0505217 ,
-42380.23520355]))
('L_CONSTRAINTS', array([ 0. , 0. , 0.06291516, 0.00105566, -0.06397082]))
('penalty', 10000)
('old_driving_force', -40466.529174404212, 0.063970821902353481)
('sublsum', -147.400261900153)
(1.0, -41814.140820882138, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0)])
('step', array([ -6.29151645e-02, -1.05565738e-03, 6.39708219e-02,
0.00000000e+00, 5.10570878e-19]))
('conv_angle', 32.571065782334976)
('Site fractions', array([ 0.29, 0.09, 0.62, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41794.83912433, -40004.0505217 , -42380.23520355]))
('Chem pot progress', array([ 795.65474423, -688.18393603, -843.12786 ]))
('Energy progress', -171.46305328977178)
('Driving force', 182.47289832821116)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6676.30128346, -28225.53242841, -41792.4691963 , -39890.54093238,
-42103.50979039]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -41814.140820882138, 0.0)
('sublsum', 0.0)
(1.0, -41814.140820882138, 0.0)
(0.5, -41814.140820882138, 0.0)
(0.25, -41814.140820882138, 0.0)
(0.125, -41814.140820882138, 0.0)
(0.0625, -41814.140820882138, 0.0)
(0.03125, -41814.140820882138, 0.0)
(0, -41814.140820882138, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.29, 0.09, 0.62, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41792.4691963 , -39890.54093238, -42103.50979039]))
('Chem pot progress', array([ 2.36992804, 113.50958932, 276.72541316]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6676.30128346, -28225.53242841, -41792.4691963 , -39890.54093238,
-42103.50979039]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 1000.0)
('old_driving_force', -41814.140820882138, 0.0)
('sublsum', 0.0)
(1.0, -41814.140820882138, 0.0)
(0.5, -41814.140820882138, 0.0)
(0.25, -41814.140820882138, 0.0)
(0.125, -41814.140820882138, 0.0)
(0.0625, -41814.140820882138, 0.0)
(0.03125, -41814.140820882138, 0.0)
(0, -41814.140820882138, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.29, 0.09, 0.62, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41792.4691963 , -39890.54093238, -42103.50979039]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0), 2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.29 0.09 0.62], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.2899999 0.09000003 0.62000007], NP=1.0), -1.673470251262188e-10)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.26127701 0.02631666 0.71240633], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6988.02990793, -28297.8854868 , -42055.42366237, -40075.10041025,
-42274.46717136]))
('L_CONSTRAINTS', array([ 0. , 0. , 0.07291516, 0.00105566, -0.07397082]))
('penalty', 10000)
('old_driving_force', -40245.483818122397, 0.07397082190235349)
('sublsum', -197.53537034592961)
(1.0, -41814.905432574917, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0)])
('step', array([ -7.29151645e-02, -1.05565738e-03, 7.39708219e-02,
0.00000000e+00, 7.77303301e-18]))
('conv_angle', 32.40903969650055)
('Site fractions', array([ 0.28, 0.09, 0.63, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-42055.42366237, -40075.10041025, -42274.46717136]))
('Chem pot progress', array([ 535.07020619, -759.23382457, -737.35982781]))
('Energy progress', -182.7615302326958)
('Driving force', 200.28654776771145)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6631.33423312, -28283.29871021, -42109.06590857, -39971.7038248 ,
-41947.48195864]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -41814.905432574917, 0.0)
('sublsum', 0.0)
(1.0, -41814.905432574917, 0.0)
(0.5, -41814.905432574917, 0.0)
(0.25, -41814.905432574917, 0.0)
(0.125, -41814.905432574917, 0.0)
(0.0625, -41814.905432574917, 0.0)
(0.03125, -41814.905432574917, 0.0)
(0, -41814.905432574917, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.28, 0.09, 0.63, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-42109.06590857, -39971.7038248 , -41947.48195864]))
('Chem pot progress', array([ -53.64224621, 103.39658545, 326.98521272]))
('Energy progress', 0.0)
('Driving force', -1.4551915228366852e-11)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 6631.33423312, -28283.29871021, -42109.06590857, -39971.7038248 ,
-41947.48195864]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 1000.0)
('old_driving_force', -41814.905432574917, 0.0)
('sublsum', 0.0)
(1.0, -41814.905432574917, 0.0)
(0.5, -41814.905432574917, 0.0)
(0.25, -41814.905432574917, 0.0)
(0.125, -41814.905432574917, 0.0)
(0.0625, -41814.905432574917, 0.0)
(0.03125, -41814.905432574917, 0.0)
(0, -41814.905432574917, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.28, 0.09, 0.63, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-42109.06590857, -39971.7038248 , -41947.48195864]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', -1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.28000002 0.08999999 0.62999999], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.28 0.09 0.63], NP=1.0), 0.0)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.87801561022251), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.12198438977749015)])
('reduced_hessian eigenvalues', array([ 3.05471985e+03, 5.26681530e+03, 7.32457318e+13,
5.15106052e+14, 1.51068409e+15]))
('NEW_L_MULTIPLIERS', array([ -5388.12402825, -18100.16103673, 2500.90258656, -7526.34680148,
-41424.99849367, -37919.39171466, -42362.36506596]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, 0.00000000e+00, 2.67989485e-02,
-2.67989485e-02]))
('penalty', 10000)
('old_driving_force', -39019.019097813136, 0.026798948547691881)
('sublsum', -637.3742948059313)
(1.0, -39112.928691371635, 0.032085301864004045)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 2.90677241e-11], NP=0.7133642377567987), CompositionSet(BCC_A2, [ 0.11282102 0.70533963 0.18183935], NP=0.2866357622432012)])
('step', array([ 1.31410255e-01, -1.31410255e-01, 2.99654399e-11,
1.65238088e-11, -4.07959777e-11, 2.42722925e-11,
-4.86295803e-02, -2.49905847e-02, 7.36201650e-02,
0.00000000e+00, -1.64651372e-01, 1.64651372e-01]))
('conv_angle', 89.051661451092016)
('Site fractions', array([ 1.00000000e+00, 1.00000000e-12, 3.09654399e-11,
1.75238088e-11, 1.00000000e+00, 2.52722925e-11,
1.12821022e-01, 7.05339626e-01, 1.81839352e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.71336424, 0.28663576]))
('Chemical potentials', array([-41424.99849367, -37919.39171466, -42362.36506596]))
('Chem pot progress', array([ -229.75274224, -892.8224865 , 6653.89334521]))
('Energy progress', 61.229622170620132)
('Driving force', 235.50358008124749)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 2.90677241e-11], NP=0.7133642377567987), CompositionSet(BCC_A2, [ 0.11282102 0.70533963 0.18183935], NP=0.2866357622432012)])
('reduced_hessian eigenvalues', array([ 8.82966278e+03, 1.40070235e+13, 2.72210887e+13,
8.01047315e+13, 7.83334470e+14]))
('NEW_L_MULTIPLIERS', array([ -5819.3596144 , -18681.18578765, 2210.50818146, -6419.88318379,
-40818.1062546 , -37748.37900304, -45315.68026892]))
('L_CONSTRAINTS', array([ 3.19654399e-11, -1.58289523e-16, 0.00000000e+00,
0.00000000e+00, -3.20853019e-02, 1.99636407e-02,
1.21216612e-02]))
('penalty', 10000)
('old_driving_force', -39061.071320660521, 0.032085301864004045)
('sublsum', -26.072763119354722)
(1.0, -39688.082642078436, 0.001376110394800123)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 6.50866151e-10], NP=0.7535923277095082), CompositionSet(BCC_A2, [ 0.14702872 0.68790099 0.16507029], NP=0.24640767228963442)])
('step', array([ -7.72018314e-10, 3.67443402e-11, 7.03308540e-10,
2.08394042e-10, -6.67172068e-10, 4.58778201e-10,
3.42076986e-02, -1.74386401e-02, -1.67690585e-02,
0.00000000e+00, 4.02280900e-02, -4.02280900e-02]))
('conv_angle', 89.817993943871542)
('Site fractions', array([ 9.99999999e-01, 3.77443402e-11, 7.34273980e-10,
2.25917850e-10, 9.99999999e-01, 4.84050494e-10,
1.47028721e-01, 6.87900986e-01, 1.65070293e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.75359233, 0.24640767]))
('Chemical potentials', array([-40818.1062546 , -37748.37900304, -45315.68026892]))
('Chem pot progress', array([ 606.89223907, 171.01271161, -2953.31520296]))
('Energy progress', -20.47287518279336)
('Driving force', -6.8810804439053754)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 6.50866151e-10], NP=0.7535923277095082), CompositionSet(BCC_A2, [ 0.14702872 0.68790099 0.16507029], NP=0.24640767228963442)])
('reduced_hessian eigenvalues', array([ 6.29713340e+03, 5.38898220e+11, 1.37785868e+12,
5.71282553e+12, 2.85682086e+13]))
('NEW_L_MULTIPLIERS', array([ -5799.82221861, -18664.9076669 , 2207.11732164, -6471.52508901,
-40863.62703947, -37657.3447798 , -45844.81991005]))
('L_CONSTRAINTS', array([ -1.82066069e-17, 2.73258886e-17, -5.55111512e-17,
0.00000000e+00, -1.37611039e-03, 7.01523177e-04,
6.74587217e-04]))
('penalty', 10000)
('old_driving_force', -39687.852195483028, 0.001376110394800123)
('sublsum', -1.1389108075720362)
(1.0, -39715.647544927648, 1.5224819679415802e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666657e-01 3.33333331e-01 1.18392867e-08], NP=0.7519209862725601), CompositionSet(BCC_A2, [ 0.15613805 0.68264902 0.16121293], NP=0.24807901372743987)])
('step', array([ -1.41415169e-08, 7.71653550e-10, 1.33698634e-08,
1.96048620e-09, -8.78602103e-09, 6.82553480e-09,
9.10933258e-03, -5.25196702e-03, -3.85736556e-03,
0.00000000e+00, -1.67134144e-03, 1.67134144e-03]))
('conv_angle', 89.945488815851746)
('Site fractions', array([ 9.99999985e-01, 8.09397890e-10, 1.41041374e-08,
2.18640405e-09, 9.99999991e-01, 7.30958530e-09,
1.56138053e-01, 6.82649019e-01, 1.61212928e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.75192099, 0.24807901]))
('Chemical potentials', array([-40863.62703947, -37657.3447798 , -45844.81991005]))
('Chem pot progress', array([ -45.52078487, 91.03422324, -529.13964113]))
('Energy progress', 0.5372992665797938)
('Driving force', 0.28416391272185137)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666657e-01 3.33333331e-01 1.18392867e-08], NP=0.7519209862725601), CompositionSet(BCC_A2, [ 0.15613805 0.68264902 0.16121293], NP=0.24807901372743987)])
('reduced_hessian eigenvalues', array([ 6.10858701e+03, 3.09474645e+10, 8.94491770e+10,
5.39669080e+11, 1.34160214e+12]))
('NEW_L_MULTIPLIERS', array([ -5798.56930505, -18662.6748467 , 2207.25547689, -6473.96342736,
-40864.58555609, -37655.48617287, -45844.67023589]))
('L_CONSTRAINTS', array([ -4.62874439e-17, 2.62416862e-17, 0.00000000e+00,
0.00000000e+00, 1.52248197e-05, -8.77782608e-06,
-6.44699360e-06]))
('penalty', 10000)
('old_driving_force', -39715.647513054922, 1.5224819679415802e-05)
('sublsum', -0.015102734008314045)
(1.0, -39715.964665802851, 1.690541429066883e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666509e-01 3.33333308e-01 1.83437024e-07], NP=0.7518143906300855), CompositionSet(BCC_A2, [ 0.1562965 0.68253438 0.16116912], NP=0.24818560936991454)])
('step', array([ -2.29779419e-07, 1.41052717e-08, 2.15674147e-07,
1.40500965e-08, -9.74950144e-08, 8.34449179e-08,
1.58445355e-04, -1.14642260e-04, -4.38030953e-05,
0.00000000e+00, -1.06595642e-04, 1.06595642e-04]))
('conv_angle', 89.960644795564079)
('Site fractions', array([ 9.99999755e-01, 1.49146696e-08, 2.29778285e-07,
1.62365005e-08, 9.99999893e-01, 9.07545032e-08,
1.56296499e-01, 6.82534377e-01, 1.61169125e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.75181439, 0.24818561]))
('Chemical potentials', array([-40864.58555609, -37655.48617287, -45844.67023589]))
('Chem pot progress', array([-0.95851662, 1.85860694, 0.14967416]))
('Energy progress', -0.016947984717262443)
('Driving force', 0.0021984166378388181)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666509e-01 3.33333308e-01 1.83437024e-07], NP=0.7518143906300855), CompositionSet(BCC_A2, [ 0.1562965 0.68253438 0.16116912], NP=0.24818560936991454)])
('reduced_hessian eigenvalues', array([ 6.10898806e+03, 2.03164071e+09, 7.01768230e+09,
6.43379757e+10, 7.89697341e+10]))
('NEW_L_MULTIPLIERS', array([ -5798.44738153, -18662.85344012, 2207.18005953, -6473.7874455 ,
-40864.93051662, -37655.41001775, -45844.65206837]))
('L_CONSTRAINTS', array([ -8.68002307e-18, -3.83754894e-17, -5.55111512e-17,
0.00000000e+00, 1.69054143e-08, -1.22179035e-08,
-4.68751065e-09]))
('penalty', 10000)
('old_driving_force', -39715.964665796004, 1.690541429066883e-08)
('sublsum', -0.1557652551217355)
(1.0, -39716.097900722423, 8.2877538165604392e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66664473e-01 3.33333159e-01 2.36794888e-06], NP=0.7518218383779908), CompositionSet(BCC_A2, [ 0.15628728 0.68254536 0.16116736], NP=0.24817816162200906)])
('step', array([ -3.08947293e-06, 2.16497613e-07, 2.87297532e-06,
7.17986508e-08, -8.79383588e-07, 8.07584937e-07,
-9.21702193e-06, 1.09790673e-05, -1.76204534e-06,
0.00000000e+00, 7.44774791e-06, -7.44774791e-06]))
('conv_angle', 83.250611532512238)
('Site fractions', array([ 9.99996666e-01, 2.31412282e-07, 3.10275360e-06,
8.80351513e-08, 9.99999014e-01, 8.98339440e-07,
1.56287281e-01, 6.82545356e-01, 1.61167363e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.75182184, 0.24817816]))
('Chemical potentials', array([-40864.93051662, -37655.41001775, -45844.65206837]))
('Chem pot progress', array([-0.34496053, 0.07615511, 0.01816753]))
('Energy progress', -0.13288301692227833)
('Driving force', 0.022866784551297314)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66664473e-01 3.33333159e-01 2.36794888e-06], NP=0.7518218383779908), CompositionSet(BCC_A2, [ 0.15628728 0.68254536 0.16116736], NP=0.24817816162200906)])
('reduced_hessian eigenvalues', array([ 6.10870370e+03, 1.57989763e+08, 6.82630888e+08,
4.70933611e+09, 1.26830379e+10]))
('NEW_L_MULTIPLIERS', array([ -5797.52000533, -18664.5051114 , 2206.46878209, -6472.10180625,
-40867.81020835, -37654.72996092, -45844.73963219]))
('L_CONSTRAINTS', array([ 2.23426116e-17, -1.04258109e-17, 1.11022302e-16,
0.00000000e+00, 5.34844391e-11, -8.28775382e-11,
2.93929603e-11]))
('penalty', 10000)
('old_driving_force', -39716.097900722205, 8.2877538165604392e-11)
('sublsum', -1.2957768517237753)
(1.0, -39717.179140143198, 7.0932857365590962e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66642255e-01 3.33332917e-01 2.48276706e-05], NP=0.7518924931709421), CompositionSet(BCC_A2, [ 0.15620929 0.68264551 0.16114521], NP=0.24810750682905797)])
('step', array([ -3.34469905e-05, 2.72497855e-06, 3.07220119e-05,
2.40483867e-07, -6.17562508e-06, 5.93514121e-06,
-7.79955682e-05, 1.00151665e-04, -2.21560966e-05,
0.00000000e+00, 7.06547930e-05, -7.06547930e-05]))
('conv_angle', 82.35425270302737)
('Site fractions', array([ 9.99963219e-01, 2.95639083e-06, 3.38247655e-05,
3.28519018e-07, 9.99992838e-01, 6.83348065e-06,
1.56209286e-01, 6.82645508e-01, 1.61145206e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.75189249, 0.24810751]))
('Chemical potentials', array([-40867.81020835, -37654.72996092, -45844.73963219]))
('Chem pot progress', array([-2.87969173, 0.68005684, -0.08756383]))
('Energy progress', -1.0814176967614912)
('Driving force', 0.21439937152172206)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66642255e-01 3.33332917e-01 2.48276706e-05], NP=0.7518924931709421), CompositionSet(BCC_A2, [ 0.15620929 0.68264551 0.16114521], NP=0.24810750682905797)])
('reduced_hessian eigenvalues', array([ 6.10482830e+03, 1.50065978e+07, 8.46552464e+07,
3.84969548e+08, 3.33019028e+09]))
('NEW_L_MULTIPLIERS', array([ -5792.4017061 , -18676.32376565, 2201.21428874, -6459.55461962,
-40885.98809926, -37649.95701776, -45847.33865094]))
('L_CONSTRAINTS', array([ 2.91921435e-17, 5.90568311e-17, -2.77555756e-17,
0.00000000e+00, 3.94096433e-09, -7.09328574e-09,
3.15232140e-09]))
('penalty', 10000)
('old_driving_force', -39717.179140029504, 7.0932857365590962e-09)
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('Site fractions', array([ 9.02499819e-01, 4.83192977e-02, 4.91808838e-02,
1.86128766e-06, 9.99234371e-01, 7.63768070e-04,
1.21118774e-01, 7.91617169e-01, 8.72640563e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.87167335, 0.12832665]))
('Chemical potentials', array([-41868.89871208, -36959.1215398 , -48990.35557721]))
('Chem pot progress', array([ 5.67512252e-05, -1.69952764e-05, 5.71840792e-05]))
('Energy progress', -7.349510269705206e-06)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.12111878 0.79161722 0.08726399], NP=1.0), -1.673470251262188e-10), (CompositionSet(BCC_A2, [ 0.12111877 0.79161717 0.08726406], NP=1.0), 2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.12111873 0.7916172 0.08726407], NP=1.0), -6.548361852765083e-11), (CompositionSet(BCC_A2, [ 0.12111877 0.79161717 0.08726406], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12111876 0.79161725 0.08726399], NP=1.0), -1.6007106751203537e-10), (CompositionSet(BCC_A2, [ 0.12111871 0.79161723 0.08726406], NP=1.0), -1.1641532182693481e-10)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.60166718 0.36529097 0.03304184], NP=1.0), -5.820766091346741e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.8548213952644752), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.14517860473552502)])
('reduced_hessian eigenvalues', array([ 3.72212130e+03, 5.49338260e+03, 9.45406594e+13,
5.07942137e+14, 1.47202147e+15]))
('NEW_L_MULTIPLIERS', array([ -5265.84868345, -17437.08111243, 2774.10197455, -8230.60647108,
-41328.17100796, -38113.37159665, -40615.13098721]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, 0.00000000e+00, 3.42888895e-02,
-3.42888895e-02]))
('penalty', 10000)
('old_driving_force', -38824.343879322798, 0.03428888946888492)
('sublsum', -757.52620664946448)
(1.0, -39181.894592977354, 0.033298427665755526)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 2.90258906e-11], NP=0.685375018981402), CompositionSet(BCC_A2, [ 0.12645179 0.65545374 0.21809447], NP=0.31462498101859804)])
('step', array([ 1.37110266e-01, -1.37110267e-01, 2.99028580e-11,
1.63657519e-11, -4.06375385e-11, 2.42719560e-11,
-3.49988092e-02, -7.48764747e-02, 1.09875284e-01,
0.00000000e+00, -1.69446376e-01, 1.69446376e-01]))
('conv_angle', 88.941458037264738)
('Site fractions', array([ 1.00000000e+00, 1.00000000e-12, 3.09028580e-11,
1.73657519e-11, 1.00000000e+00, 2.52719560e-11,
1.26451793e-01, 6.55453736e-01, 2.18094471e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.68537502, 0.31462498]))
('Chemical potentials', array([-41328.17100796, -38113.37159665, -40615.13098721]))
('Chem pot progress', array([ -132.92525653, -1086.80236849, 8401.12742397]))
('Energy progress', 48.059184792742599)
('Driving force', 94.440107247042761)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 2.90258906e-11], NP=0.685375018981402), CompositionSet(BCC_A2, [ 0.12645179 0.65545374 0.21809447], NP=0.31462498101859804)])
('reduced_hessian eigenvalues', array([ 8.78657306e+03, 1.56663304e+13, 2.78810877e+13,
7.75849918e+13, 7.69891263e+14]))
('NEW_L_MULTIPLIERS', array([ -5671.49641595, -18044.42597759, 2456.49197124, -6999.62112513,
-40736.71847232, -37911.15879517, -44499.48022224]))
('L_CONSTRAINTS', array([ 3.19028580e-11, 6.02856346e-17, -1.11022302e-16,
0.00000000e+00, -3.32984277e-02, 1.46804590e-02,
1.86179687e-02]))
('penalty', 10000)
('old_driving_force', -39092.850037751159, 0.033298427665755526)
('sublsum', -16.800873217539927)
(1.0, -39736.918410929953, 0.0013254192429320577)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 6.58413575e-10], NP=0.7295331130666171), CompositionSet(BCC_A2, [ 0.15646711 0.65400364 0.18952925], NP=0.2704668869324438)])
('step', array([ -7.79862931e-10, 3.69722985e-11, 7.10987776e-10,
2.08869136e-10, -6.75056691e-10, 4.66187502e-10,
3.00153177e-02, -1.45009396e-03, -2.85652237e-02,
0.00000000e+00, 4.41580941e-02, -4.41580941e-02]))
('conv_angle', 89.885037491867038)
('Site fractions', array([ 9.99999999e-01, 3.79722985e-11, 7.41890634e-10,
2.26234887e-10, 9.99999999e-01, 4.91459458e-10,
1.56467111e-01, 6.54003642e-01, 1.89529247e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.72953311, 0.27046689]))
('Chemical potentials', array([-40736.71847232, -37911.15879517, -44499.48022224]))
('Chem pot progress', array([ 591.45253565, 202.21280147, -3884.34923503]))
('Energy progress', 19.400899748776283)
('Driving force', -25.305300367122982)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 6.58413575e-10], NP=0.7295331130666171), CompositionSet(BCC_A2, [ 0.15646711 0.65400364 0.18952925], NP=0.2704668869324438)])
('reduced_hessian eigenvalues', array([ 6.39349868e+03, 6.29985767e+11, 1.34291277e+12,
5.52450168e+12, 2.80496146e+13]))
('NEW_L_MULTIPLIERS', array([ -5665.37486792, -18049.73747547, 2448.02092429, -7046.83012485,
-40774.66026525, -37835.27841166, -45219.29138905]))
('L_CONSTRAINTS', array([ -1.99413303e-17, 2.90606121e-17, -8.32667268e-17,
0.00000000e+00, -1.32541924e-03, 6.40333765e-05,
1.26138587e-03]))
('penalty', 10000)
('old_driving_force', -39736.065598957932, 0.0013254192429320577)
('sublsum', -0.69123034283089635)
(1.0, -39762.843020979046, 3.9936976163890137e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666657e-01 3.33333331e-01 1.20362463e-08], NP=0.7288815672579023), CompositionSet(BCC_A2, [ 0.16259667 0.65299441 0.18440891], NP=0.27111843274209774)])
('step', array([ -1.43493982e-08, 7.75722720e-10, 1.35736755e-08,
1.97384457e-09, -8.95999162e-09, 6.98614703e-09,
6.12956411e-03, -1.00922880e-03, -5.12033531e-03,
0.00000000e+00, -6.51545809e-04, 6.51545810e-04]))
('conv_angle', 89.951753338454822)
('Site fractions', array([ 9.99999985e-01, 8.13695019e-10, 1.43155661e-08,
2.20007945e-09, 9.99999990e-01, 7.47760649e-09,
1.62596675e-01, 6.52994414e-01, 1.84408912e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.72888157, 0.27111843]))
('Chemical potentials', array([-40774.66026525, -37835.27841166, -45219.29138905]))
('Chem pot progress', array([ -37.94179293, 75.88038351, -719.81116681]))
('Energy progress', 5.082160271587782)
('Driving force', -0.57145199972001137)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666657e-01 3.33333331e-01 1.20362463e-08], NP=0.7288815672579023), CompositionSet(BCC_A2, [ 0.16259667 0.65299441 0.18440891], NP=0.27111843274209774)])
('reduced_hessian eigenvalues', array([ 6.20397672e+03, 3.59663619e+10, 8.60007947e+10,
5.21176286e+11, 1.32209578e+12]))
('NEW_L_MULTIPLIERS', array([ -5665.07906117, -18046.8575412 , 2449.13818937, -7049.0333237 ,
-40773.74826209, -37837.16221585, -45224.86115137]))
('L_CONSTRAINTS', array([ -2.17302646e-17, -4.81345828e-17, 1.38777878e-16,
0.00000000e+00, 3.99369762e-06, -6.57557186e-07,
-3.33614043e-06]))
('penalty', 10000)
('old_driving_force', -39762.843044441528, 3.9936976163890137e-06)
('sublsum', -0.015029948745371391)
(1.0, -39762.935512930948, 1.6143582248773214e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666506e-01 3.33333307e-01 1.87202204e-07], NP=0.7287844954184566), CompositionSet(BCC_A2, [ 0.16276283 0.65288245 0.18435472], NP=0.27121550458154353)])
('step', array([ -2.33884664e-07, 1.41454259e-08, 2.19739238e-07,
1.42069700e-08, -1.00226368e-07, 8.60193979e-08,
1.66154326e-04, -1.11962342e-04, -5.41919845e-05,
0.00000000e+00, -9.70718394e-05, 9.70718394e-05]))
('conv_angle', 89.959313557598207)
('Site fractions', array([ 9.99999751e-01, 1.49591210e-08, 2.34054805e-07,
1.64070494e-08, 9.99999890e-01, 9.34970044e-08,
1.62762829e-01, 6.52882451e-01, 1.84354720e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.7287845, 0.2712155]))
('Chemical potentials', array([-40773.74826209, -37837.16221585, -45224.86115137]))
('Chem pot progress', array([ 0.91200316, -1.88380418, -5.56976232]))
('Energy progress', -0.025844391442660708)
('Driving force', 0.0019313277225592174)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666506e-01 3.33333307e-01 1.87202204e-07], NP=0.7287844954184566), CompositionSet(BCC_A2, [ 0.16276283 0.65288245 0.18435472], NP=0.27121550458154353)])
('reduced_hessian eigenvalues', array([ 6.20038166e+03, 2.35351612e+09, 6.69610962e+09,
6.23623020e+10, 7.73940980e+10]))
('NEW_L_MULTIPLIERS', array([ -5664.96552419, -18047.05102889, 2449.05668259, -7048.84088748,
-40774.09840916, -37837.09234908, -45224.79949281]))
('L_CONSTRAINTS', array([ 9.73513495e-18, -6.06596557e-17, 0.00000000e+00,
0.00000000e+00, 1.61435822e-08, -1.08660628e-08,
-5.27751930e-09]))
('penalty', 10000)
('old_driving_force', -39762.93551292421, 1.6143582248773214e-08)
('sublsum', -0.15508230108649732)
(1.0, -39763.068193109822, 8.312944776989184e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66664427e-01 3.33333147e-01 2.42650731e-06], NP=0.7287926323368636), CompositionSet(BCC_A2, [ 0.16275324 0.65289251 0.18435425], NP=0.27120736766313636)])
('step', array([ -3.15572894e-06, 2.16536988e-07, 2.93919195e-06,
7.29974831e-08, -9.12528908e-07, 8.39531425e-07,
-9.58967649e-06, 1.00565213e-05, -4.66844759e-07,
0.00000000e+00, 8.13691841e-06, -8.13691841e-06]))
('conv_angle', 83.144269323405112)
('Site fractions', array([ 9.99996595e-01, 2.31496108e-07, 3.17324676e-06,
8.94045325e-08, 9.99998978e-01, 9.33028429e-07,
1.62753240e-01, 6.52892508e-01, 1.84354253e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.72879263, 0.27120737]))
('Chemical potentials', array([-40774.09840916, -37837.09234908, -45224.79949281]))
('Chem pot progress', array([-0.35014708, 0.06986676, 0.06165856]))
('Energy progress', -0.13235089367663022)
('Driving force', 0.022723339461663272)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66664427e-01 3.33333147e-01 2.42650731e-06], NP=0.7287926323368636), CompositionSet(BCC_A2, [ 0.16275324 0.65289251 0.18435425], NP=0.27120736766313636)])
('reduced_hessian eigenvalues', array([ 6.19770619e+03, 1.81778173e+08, 6.49048547e+08,
4.64122998e+09, 1.21742062e+10]))
('NEW_L_MULTIPLIERS', array([ -5664.10873058, -18048.8392573 , 2448.28513709, -7047.00369147,
-40777.03187532, -37836.46382111, -45224.43569374]))
('L_CONSTRAINTS', array([ 1.81095644e-17, 6.81752467e-17, 5.55111512e-17,
0.00000000e+00, 6.11096729e-11, -8.31294478e-11,
2.20197194e-11]))
('penalty', 10000)
('old_driving_force', -39763.068193109597, 8.312944776989184e-11)
('sublsum', -1.2952863035751374)
(1.0, -39764.149433156475, 7.0793312878514314e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66641643e-01 3.33332799e-01 2.55576206e-05], NP=0.7288696020477191), CompositionSet(BCC_A2, [ 0.16267145 0.65298414 0.18434441], NP=0.271130397952281)])
('step', array([ -3.42978156e-05, 2.71722202e-06, 3.15805936e-05,
2.46205297e-07, -6.47835804e-06, 6.23215274e-06,
-8.17889781e-05, 9.16275759e-05, -9.83859781e-06,
0.00000000e+00, 7.69697109e-05, -7.69697109e-05]))
('conv_angle', 82.196400531373015)
('Site fractions', array([ 9.99962297e-01, 2.94871813e-06, 3.47538403e-05,
3.35609829e-07, 9.99992499e-01, 7.16518117e-06,
1.62671451e-01, 6.52984135e-01, 1.84344414e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.7288696, 0.2711304]))
('Chemical potentials', array([-40777.03187532, -37836.46382111, -45224.43569374]))
('Chem pot progress', array([-2.93346616, 0.62852797, 0.36379907]))
('Energy progress', -1.0814117318368517)
('Driving force', 0.21390873253403697)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66641643e-01 3.33332799e-01 2.55576206e-05], NP=0.7288696020477191), CompositionSet(BCC_A2, [ 0.16267145 0.65298414 0.18434441], NP=0.271130397952281)])
('reduced_hessian eigenvalues', array([ 6.19801511e+03, 1.71213640e+07, 8.04672177e+07,
3.78526653e+08, 3.17699047e+09]))
('NEW_L_MULTIPLIERS', array([ -5659.44208342, -18061.51896027, 2442.63852555, -7033.4589855 ,
-40795.57321895, -37832.09872643, -45223.53702755]))
('L_CONSTRAINTS', array([ 1.29087821e-17, -8.65726964e-17, -8.32667268e-17,
0.00000000e+00, 4.54166227e-09, -7.07933129e-09,
2.53766914e-09]))
('penalty', 10000)
('old_driving_force', -39764.149433043647, 7.0793312878514314e-09)
('sublsum', -8.1623827926456922)
(1.0, -39770.764571098378, 3.5893187194657727e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66448410e-01 3.33339636e-01 2.11954425e-04], NP=0.7294321567261735), CompositionSet(BCC_A2, [ 0.16214523 0.65362901 0.18422576], NP=0.2705678432738265)])
('step', array([ -2.90090443e-04, 2.71362494e-05, 2.62954193e-04,
4.80542127e-07, -3.37625690e-05, 3.32820268e-05,
-5.26216708e-04, 6.44875727e-04, -1.18659020e-04,
0.00000000e+00, 5.62554678e-04, -5.62554678e-04]))
('conv_angle', 81.038531902669448)
('Site fractions', array([ 9.99672207e-01, 3.00849675e-05, 2.97708034e-04,
8.16151956e-07, 9.99958737e-01, 4.04472080e-05,
1.62145234e-01, 6.53629011e-01, 1.84225755e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.72943216, 0.27056784]))
('Chemical potentials', array([-40795.57321895, -37832.09872643, -45223.53702755]))
('Chem pot progress', array([-18.54134363, 4.36509468, 0.89866619]))
('Energy progress', -6.6239664602981065)
('Driving force', 1.5403727862503729)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66448410e-01 3.33339636e-01 2.11954425e-04], NP=0.7294321567261735), CompositionSet(BCC_A2, [ 0.16214523 0.65362901 0.18422576], NP=0.2705678432738265)])
('reduced_hessian eigenvalues', array([ 6.18748698e+03, 2.03445179e+06, 1.29204164e+07,
4.04081886e+07, 1.29587780e+09]))
('NEW_L_MULTIPLIERS', array([ -5643.29440549, -18128.02074965, 2411.84450562, -6958.92278175,
-40878.97179786, -37809.69397309, -45229.65899549]))
('L_CONSTRAINTS', array([ -5.32885368e-17, 5.21907821e-17, 5.55111512e-17,
0.00000000e+00, 1.87321291e-07, -3.58931872e-07,
1.71610581e-07]))
('penalty', 10000)
('old_driving_force', -39770.764546383674, 3.5893187194657727e-07)
('sublsum', -36.631272832361987)
(1.0, -39799.207293159539, 1.0000032175438989e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.66522878 0.33343878 0.00133243], NP=0.7324969471941969), CompositionSet(BCC_A2, [ 0.1597202 0.65699104 0.18328877], NP=0.2675030528058032)])
('step', array([ -1.82966207e-03, 2.08188767e-04, 1.62147330e-03,
4.47733216e-07, -1.18929472e-04, 1.18481739e-04,
-2.42503635e-03, 3.36202565e-03, -9.36989303e-04,
0.00000000e+00, 3.06479047e-03, -3.06479047e-03]))
('conv_angle', 79.717891661860278)
('Site fractions', array([ 9.97842545e-01, 2.38273735e-04, 1.91918133e-03,
1.26388517e-06, 9.99839807e-01, 1.58928947e-04,
1.59720198e-01, 6.56991037e-01, 1.83288766e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.73249695, 0.26750305]))
('Chemical potentials', array([-40878.97179786, -37809.69397309, -45229.65899549]))
('Chem pot progress', array([-83.39857891, 22.40475333, -6.12196794]))
('Energy progress', -28.69184750331624)
('Driving force', 8.0021775381828775)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.66522878 0.33343878 0.00133243], NP=0.7324969471941969), CompositionSet(BCC_A2, [ 0.1597202 0.65699104 0.18328877], NP=0.2675030528058032)])
('reduced_hessian eigenvalues', array([ 6.13310545e+03, 3.15052254e+05, 2.50843132e+06,
6.60790453e+06, 8.36806554e+08]))
('NEW_L_MULTIPLIERS', array([ -5617.48351184, -18371.95946875, 2292.99426861, -6668.07313578,
-41126.91935997, -37728.69006894, -45304.67991557]))
('L_CONSTRAINTS', array([ -5.20417043e-17, -6.88468380e-18, 0.00000000e+00,
0.00000000e+00, 3.69433178e-06, -1.00000322e-05,
6.30570039e-06]))
('penalty', 10000)
('old_driving_force', -39799.205094057885, 1.0000032175438989e-05)
('sublsum', -109.01679050543919)
(1.0, -39877.814294559772, 0.00013835032059300589)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.65977882 0.33414193 0.00607925], NP=0.744316642629112), CompositionSet(BCC_A2, [ 0.15229387 0.66939925 0.17830688], NP=0.2556833573708881)])
('step', array([ -8.17504513e-03, 1.18189612e-03, 6.99314902e-03,
1.83286513e-07, -2.54347953e-04, 2.54164667e-04,
-7.42633103e-03, 1.24082146e-02, -4.98188353e-03,
0.00000000e+00, 1.18196954e-02, -1.18196954e-02]))
('conv_angle', 78.318342107766313)
('Site fractions', array([ 9.89667500e-01, 1.42016985e-03, 8.91233035e-03,
1.44717168e-06, 9.99585459e-01, 4.13093613e-04,
1.52293867e-01, 6.69399251e-01, 1.78306882e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.74431664, 0.25568336]))
('Chemical potentials', array([-41126.91935997, -37728.69006894, -45304.67991557]))
('Chem pot progress', array([-247.94756211, 81.00390415, -75.02092008]))
('Energy progress', -82.06642831044155)
('Driving force', 27.969784548156895)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.65977882 0.33414193 0.00607925], NP=0.744316642629112), CompositionSet(BCC_A2, [ 0.15229387 0.66939925 0.17830688], NP=0.2556833573708881)])
('reduced_hessian eigenvalues', array([ 5.92496155e+03, 6.59425010e+04, 5.12847507e+05,
2.05547961e+06, 7.39529814e+08]))
('NEW_L_MULTIPLIERS', array([ -5637.20292591, -18954.08023262, 1990.58804393, -5915.70105059,
-41563.11217026, -37530.2128688 , -45685.16456632]))
('L_CONSTRAINTS', array([ 3.81639165e-17, 2.98697699e-17, 2.77555756e-17,
0.00000000e+00, 2.33599973e-05, -1.38350321e-04,
1.14990323e-04]))
('penalty', 10000)
('old_driving_force', -39877.732893659631, 0.00013835032059300589)
('sublsum', -193.78117197578163)
(1.0, -39996.577375536508, 0.00091821436662280209)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.64383499 0.33722171 0.0189433 ], NP=0.7744716292982027), CompositionSet(BCC_A2, [ 0.13876422 0.70051469 0.16072109], NP=0.22552837070179743)])
('step', array([ -2.39158404e-02, 4.76569574e-03, 1.91501446e-02,
1.97538473e-07, -2.92051166e-04, 2.91853628e-04,
-1.35296469e-02, 3.11154342e-02, -1.75857873e-02,
0.00000000e+00, 3.01549867e-02, -3.01549867e-02]))
('conv_angle', 77.174164567856494)
('Site fractions', array([ 9.65751659e-01, 6.18586559e-03, 2.80624750e-02,
1.64471016e-06, 9.99293408e-01, 7.04947241e-04,
1.38764220e-01, 7.00514685e-01, 1.60721095e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.77447163, 0.22552837]))
('Chemical potentials', array([-41563.11217026, -37530.2128688 , -45685.16456632]))
('Chem pot progress', array([-436.19281029, 198.47720015, -380.48465075]))
('Energy progress', -140.60421414180746)
('Driving force', 60.455420582125953)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.64383499 0.33722171 0.0189433 ], NP=0.7744716292982027), CompositionSet(BCC_A2, [ 0.13876422 0.70051469 0.16072109], NP=0.22552837070179743)])
('reduced_hessian eigenvalues', array([ 5.09270644e+03, 2.11354431e+04, 1.20632959e+05,
1.15283561e+06, 6.71025398e+08]))
('NEW_L_MULTIPLIERS', array([ -5766.99195653, -19723.97277814, 1558.38773374, -4801.12200836,
-41897.37842109, -37242.45664357, -46697.21062765]))
('L_CONSTRAINTS', array([ -4.85722573e-17, 1.51788304e-17, 1.11022302e-16,
0.00000000e+00, -7.27995897e-05, -8.45414777e-04,
9.18214367e-04]))
('penalty', 10000)
('old_driving_force', -39995.429161384272, 0.00091821436662280209)
('sublsum', -165.71351952346743)
(1.0, -40072.327239197723, 0.002232641283350878)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6187657 0.34551697 0.03571733], NP=0.8183849680594475), CompositionSet(BCC_A2, [ 0.12683183 0.74651503 0.12665314], NP=0.18161503194055248)])
('step', array([ -3.76040978e-02, 1.25190740e-02, 2.50850238e-02,
3.35921730e-07, -1.52384037e-04, 1.52048115e-04,
-1.19323921e-02, 4.60003445e-02, -3.40679525e-02,
0.00000000e+00, 4.39133388e-02, -4.39133388e-02]))
('conv_angle', 76.767836130538711)
('Site fractions', array([ 9.28147562e-01, 1.87049396e-02, 5.31474988e-02,
1.98063189e-06, 9.99141024e-01, 8.56995356e-04,
1.26831828e-01, 7.46515030e-01, 1.26653142e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.81838497, 0.18161503]))
('Chemical potentials', array([-41897.37842109, -37242.45664357, -46697.21062765]))
('Chem pot progress', array([ -334.26625083, 287.75622523, -1012.04606132]))
('Energy progress', -113.26772159813845)
('Driving force', 65.322819993925805)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6187657 0.34551697 0.03571733], NP=0.8183849680594475), CompositionSet(BCC_A2, [ 0.12683183 0.74651503 0.12665314], NP=0.18161503194055248)])
('reduced_hessian eigenvalues', array([ 3.71749318e+03, 1.28324384e+04, 3.88306014e+04,
9.69257746e+05, 5.80741451e+08]))
('NEW_L_MULTIPLIERS', array([ -5887.78255494, -20114.25820227, 1307.3881743 , -4069.85824639,
-41896.13998313, -37125.11518957, -47557.64568889]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -1.70219741e-17, -1.11022302e-16,
0.00000000e+00, -5.76884898e-04, -1.65575639e-03,
2.23264128e-03]))
('penalty', 10000)
('old_driving_force', -40070.21119306043, 0.002232641283350878)
('sublsum', -59.56749820316135)
(1.0, -40138.894276644678, 0.00057573386992426645)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60313895 0.35709523 0.03976581], NP=0.8463716163119809), CompositionSet(BCC_A2, [ 0.12461837 0.76525174 0.11012989], NP=0.15362838368801904)])
('step', array([ -2.34401949e-02, 1.73913039e-02, 6.04889101e-03,
1.39040660e-07, -4.78070105e-05, 4.76679698e-05,
-2.21346160e-03, 1.87367118e-02, -1.65232502e-02,
0.00000000e+00, 2.79866483e-02, -2.79866483e-02]))
('conv_angle', 71.61189737034843)
('Site fractions', array([ 9.04707367e-01, 3.60962435e-02, 5.91963898e-02,
2.11967255e-06, 9.99093217e-01, 9.04663326e-04,
1.24618366e-01, 7.65251742e-01, 1.10129892e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.84637162, 0.15362838]))
('Chemical potentials', array([-41896.13998313, -37125.11518957, -47557.64568889]))
('Chem pot progress', array([ 1.23843796, 117.34145399, -860.43506124]))
('Energy progress', -19.220521072922566)
('Driving force', 24.975901082972996)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60313895 0.35709523 0.03976581], NP=0.8463716163119809), CompositionSet(BCC_A2, [ 0.12461837 0.76525174 0.11012989], NP=0.15362838368801904)])
('reduced_hessian eigenvalues', array([ 3.16108292e+03, 1.10027605e+04, 1.89778147e+04,
9.39086896e+05, 5.56337682e+08]))
('NEW_L_MULTIPLIERS', array([ -5948.03241753, -20247.49392313, 1206.92743031, -3741.84207074,
-41853.04718296, -37139.99337486, -47587.76951513]))
('L_CONSTRAINTS', array([ -6.93889390e-18, -5.96311195e-18, 1.38777878e-17,
0.00000000e+00, -3.75392991e-04, -2.00340879e-04,
5.75733870e-04]))
('penalty', 10000)
('old_driving_force', -40138.863737311192, 0.00057573386992426645)
('sublsum', -9.4572742098174913)
(1.0, -40153.298285469391, 0.00010945993047645208)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59645707 0.36367402 0.03986891], NP=0.8586411308620375), CompositionSet(BCC_A2, [ 0.1256568 0.76290924 0.11143396], NP=0.14135886913796253)])
('step', array([ -1.00228366e-02, 9.90495535e-03, 1.17881199e-04,
2.45286952e-08, -7.35501302e-05, 7.35256015e-05,
1.03843899e-03, -2.34250583e-03, 1.30406684e-03,
0.00000000e+00, 1.22695146e-02, -1.22695146e-02]))
('conv_angle', 66.03335115454523)
('Site fractions', array([ 8.94684530e-01, 4.60011988e-02, 5.93142710e-02,
2.14420124e-06, 9.99019667e-01, 9.78188928e-04,
1.25656805e-01, 7.62909236e-01, 1.11433959e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.85864113, 0.14135887]))
('Chemical potentials', array([-41853.04718296, -37139.99337486, -47587.76951513]))
('Chem pot progress', array([ 43.09280017, -14.87818529, -30.12382624]))
('Energy progress', -0.2627845818424248)
('Driving force', 4.8132160913155531)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59645707 0.36367402 0.03986891], NP=0.8586411308620375), CompositionSet(BCC_A2, [ 0.1256568 0.76290924 0.11143396], NP=0.14135886913796253)])
('reduced_hessian eigenvalues', array([ 2.92628098e+03, 9.90737457e+03, 1.40278753e+04,
8.78160803e+05, 5.55908759e+08]))
('NEW_L_MULTIPLIERS', array([ -5961.42518511, -20271.26527687, 1189.3791407 , -3686.38070957,
-41842.62721262, -37143.9534104 , -47572.11171374]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 1.73472348e-18, -2.77555756e-17,
0.00000000e+00, -9.47246013e-05, 1.09459930e-04,
-1.47353292e-05]))
('penalty', 10000)
('old_driving_force', -40153.296634253784, 0.00010945993047645208)
('sublsum', -0.16266370692274013)
(1.0, -40155.495752413088, 3.6090632682395096e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59537965 0.36464153 0.03997882], NP=0.8607257065866509), CompositionSet(BCC_A2, [ 0.12592862 0.76214543 0.11192595], NP=0.13927429341334913)])
('step', array([ -1.61613493e-03, 1.46028568e-03, 1.55849256e-04,
8.19927713e-09, -1.80316166e-05, 1.80234173e-05,
2.71814610e-04, -7.63804655e-04, 4.91990044e-04,
0.00000000e+00, 2.08457572e-03, -2.08457572e-03]))
('conv_angle', 69.994710012919711)
('Site fractions', array([ 8.93068395e-01, 4.74614845e-02, 5.94701202e-02,
2.15240052e-06, 9.99001635e-01, 9.96212345e-04,
1.25928620e-01, 7.62145431e-01, 1.11925949e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.86072571, 0.13927429]))
('Chemical potentials', array([-41842.62721262, -37143.9534104 , -47572.11171374]))
('Chem pot progress', array([ 10.41997034, -3.96003554, 15.6578014 ]))
('Energy progress', -0.6593219301867066)
('Driving force', 0.090507067754515447)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59537965 0.36464153 0.03997882], NP=0.8607257065866509), CompositionSet(BCC_A2, [ 0.12592862 0.76214543 0.11192595], NP=0.13927429341334913)])
('reduced_hessian eigenvalues', array([ 2.88292965e+03, 9.70835465e+03, 1.34493429e+04,
8.63998148e+05, 5.54794795e+08]))
('NEW_L_MULTIPLIERS', array([ -5961.68622446, -20271.67443626, 1189.08668927, -3685.46390656,
-41842.41665533, -37144.04314761, -47571.78044092]))
('L_CONSTRAINTS', array([ -2.08166817e-17, 3.25260652e-18, 1.38777878e-17,
0.00000000e+00, -2.81258288e-06, 3.60906327e-06,
-7.96480393e-07]))
('penalty', 10000)
('old_driving_force', -40155.49575123316, 3.6090632682395096e-06)
('sublsum', -3.6222517753663049e-05)
(1.0, -40155.567929109107, 1.075156408347766e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59536312 0.36465599 0.03998089], NP=0.8607602525542494), CompositionSet(BCC_A2, [ 0.12593452 0.76212877 0.11193671], NP=0.1392397474457507)])
('step', array([ -2.47945717e-05, 2.18853049e-05, 2.90926677e-06,
1.65939030e-10, -3.97642783e-07, 3.97476844e-07,
5.90522052e-06, -1.66648301e-05, 1.07596096e-05,
0.00000000e+00, 3.45459676e-05, -3.45459676e-05]))
('conv_angle', 72.072446015958235)
('Site fractions', array([ 8.93043601e-01, 4.74833698e-02, 5.94730295e-02,
2.15256646e-06, 9.99001238e-01, 9.96609822e-04,
1.25934525e-01, 7.62128766e-01, 1.11936709e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.86076025, 0.13923975]))
('Chemical potentials', array([-41842.41665533, -37144.04314761, -47571.78044092]))
('Chem pot progress', array([ 0.21055729, -0.0897372 , 0.33127281]))
('Energy progress', -0.021531395890633576)
('Driving force', 2.0754014258272946e-05)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59536312 0.36465599 0.03998089], NP=0.8607602525542494), CompositionSet(BCC_A2, [ 0.12593452 0.76212877 0.11193671], NP=0.1392397474457507)])
('reduced_hessian eigenvalues', array([ 2.88275953e+03, 9.70618171e+03, 1.34408588e+04,
8.63679224e+05, 5.54768666e+08]))
('NEW_L_MULTIPLIERS', array([ -5961.68631922, -20271.67439754, 1189.08663638, -3685.4637088 ,
-41842.41660529, -37144.04317273, -47571.78034528]))
('L_CONSTRAINTS', array([ 2.08166817e-17, 2.08166817e-17, -9.71445147e-17,
0.00000000e+00, -7.75034592e-10, 1.07515641e-09,
-3.00121754e-10]))
('penalty', 10000)
('old_driving_force', -40155.567929109107, 1.075156408347766e-09)
('sublsum', -1.8006217430416885e-12)
(1.0, -40155.56795061224, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59536311 0.364656 0.03998089], NP=0.8607602591118505), CompositionSet(BCC_A2, [ 0.12593453 0.76212876 0.11193671], NP=0.1392397408881495)])
('step', array([ -4.75521268e-09, 4.60109487e-09, 1.54117790e-10,
1.21824750e-13, -1.37827801e-10, 1.37705955e-10,
3.05520669e-09, -7.68053630e-09, 4.62532970e-09,
0.00000000e+00, 6.55760114e-09, -6.55760120e-09]))
('conv_angle', 72.293218072249203)
('Site fractions', array([ 8.93043596e-01, 4.74833744e-02, 5.94730297e-02,
2.15256658e-06, 9.99001237e-01, 9.96609960e-04,
1.25934528e-01, 7.62128759e-01, 1.11936713e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.86076026, 0.13923974]))
('Chemical potentials', array([-41842.41660529, -37144.04317273, -47571.78034528]))
('Chem pot progress', array([ 5.00411479e-05, -2.51194579e-05, 9.56474323e-05]))
('Energy progress', -6.770991603843868e-06)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.12593444 0.76212882 0.11193674], NP=1.0), -2.3283064365386963e-10), (CompositionSet(BCC_A2, [ 0.12593453 0.76212876 0.11193671], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12593447 0.76212879 0.11193674], NP=1.0), -8.731149137020111e-11), (CompositionSet(BCC_A2, [ 0.12593444 0.76212882 0.11193673], NP=1.0), -2.3283064365386963e-10), (CompositionSet(BCC_A2, [ 0.12593453 0.76212876 0.11193671], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.12593453 0.76212876 0.11193671], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.12593448 0.76212881 0.1119367 ], NP=1.0), -4.3655745685100555e-11), (CompositionSet(BCC_A2, [ 0.12593453 0.76212876 0.11193671], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12593453 0.76212876 0.11193671], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.59536313 0.36465598 0.03998089], NP=1.0), -3.637978807091713e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.8548213952644752), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.14517860473552502)])
('reduced_hessian eigenvalues', array([ 3.72212130e+03, 5.49338260e+03, 9.45406594e+13,
5.07942137e+14, 1.47202147e+15]))
('NEW_L_MULTIPLIERS', array([ -5231.36425791, -17821.32155365, 2574.21402322, -7776.79622435,
-41520.36441137, -37729.53672451, -43699.72506433]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, 0.00000000e+00, 2.42888895e-02,
-2.42888895e-02]))
('penalty', 10000)
('old_driving_force', -39083.570572796641, 0.024288889468884911)
('sublsum', -554.35299636030925)
(1.0, -39170.577844053987, 0.026695265342143615)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 2.92108596e-11], NP=0.7041965251104656), CompositionSet(BCC_A2, [ 0.11440158 0.72235468 0.16324374], NP=0.2958034748895344)])
('step', array([ 1.25940726e-01, -1.25940726e-01, 3.01308423e-11,
1.66955202e-11, -4.10662511e-11, 2.43708942e-11,
-4.70490234e-02, -7.97553423e-03, 5.50245576e-02,
0.00000000e+00, -1.50624870e-01, 1.50624870e-01]))
('conv_angle', 89.072619548629078)
('Site fractions', array([ 1.00000000e+00, 1.00000000e-12, 3.11308423e-11,
1.76955202e-11, 1.00000000e+00, 2.53708942e-11,
1.14401579e-01, 7.22354677e-01, 1.63243744e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.70419653, 0.29580347]))
('Chemical potentials', array([-41520.36441137, -37729.53672451, -43699.72506433]))
('Chem pot progress', array([ -325.11865994, -702.96749635, 5316.53334684]))
('Energy progress', 62.788031656018575)
('Driving force', 272.99978060099966)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 2.92108596e-11], NP=0.7041965251104656), CompositionSet(BCC_A2, [ 0.11440158 0.72235468 0.16324374], NP=0.2958034748895344)])
('reduced_hessian eigenvalues', array([ 8.73650059e+03, 1.43864394e+13, 2.68627043e+13,
7.84921545e+13, 8.04924932e+14]))
('NEW_L_MULTIPLIERS', array([ -5651.6332131 , -18265.29042844, 2348.40171499, -6911.56085637,
-40880.84792436, -37622.89842615, -45890.9560377 ]))
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('old_driving_force', -39683.337407558181, 7.9034445654713181e-11)
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('conv_angle', 82.257803608322789)
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('NEW_L_MULTIPLIERS', array([ -5632.70768857, -18250.1410439 , 2343.91135281, -6942.80521069,
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('conv_angle', 81.208784940227162)
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(1.0, -39971.648280304282, 0.0016026554102329046)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.62440438 0.34580692 0.0297887 ], NP=0.8117161639729896), CompositionSet(BCC_A2, [ 0.12087248 0.78659336 0.09253415], NP=0.18828383602701038)])
('step', array([ -3.20172024e-02, 1.27187784e-02, 1.92984241e-02,
2.23916078e-07, -6.21093604e-05, 6.18854444e-05,
-1.04103427e-02, 4.10584233e-02, -3.06480806e-02,
0.00000000e+00, 3.68136041e-02, -3.68136041e-02]))
('conv_angle', 76.393492745079683)
('Site fractions', array([ 9.36605705e-01, 1.90301103e-02, 4.43641843e-02,
1.73971154e-06, 9.99360525e-01, 6.37734918e-04,
1.20872484e-01, 7.86593364e-01, 9.25341523e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.81171616, 0.18828384]))
('Chemical potentials', array([-41924.32405137, -36989.90069401, -48364.45548425]))
('Chem pot progress', array([ -278.82902895, 260.5083826 , -1352.84119025]))
('Energy progress', -97.48893107463664)
('Driving force', 56.425876511239039)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.62440438 0.34580692 0.0297887 ], NP=0.8117161639729896), CompositionSet(BCC_A2, [ 0.12087248 0.78659336 0.09253415], NP=0.18828383602701038)])
('reduced_hessian eigenvalues', array([ 4.05819832e+03, 1.63869063e+04, 4.35587221e+04,
1.29185411e+06, 6.57364336e+08]))
('NEW_L_MULTIPLIERS', array([ -5770.57194947, -19990.65124515, 1374.51827707, -4387.78350707,
-41917.37914146, -36921.89675873, -49204.19725088]))
('L_CONSTRAINTS', array([ 4.85722573e-17, -4.71627945e-17, -2.77555756e-17,
0.00000000e+00, -4.02534094e-04, -1.20012132e-03,
1.60265541e-03]))
('penalty', 10000)
('old_driving_force', -39970.218055083431, 0.0016026554102329046)
('sublsum', -57.562739626581489)
(1.0, -40031.260984538625, 0.00029117546652102089)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6106205 0.35752807 0.03185143], NP=0.8352668428878044), CompositionSet(BCC_A2, [ 0.11945238 0.79756982 0.0829778 ], NP=0.1647331571121956)])
('step', array([ -2.06758580e-02, 1.75945916e-02, 3.08126637e-03,
6.29226481e-08, -2.57117639e-05, 2.56488413e-05,
-1.42010208e-03, 1.09764532e-02, -9.55635109e-03,
0.00000000e+00, 2.35506789e-02, -2.35506789e-02]))
('conv_angle', 67.802950179314834)
('Site fractions', array([ 9.15929847e-01, 3.66247019e-02, 4.74454507e-02,
1.80263419e-06, 9.99334814e-01, 6.63383760e-04,
1.19452382e-01, 7.97569817e-01, 8.29778012e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.83526684, 0.16473316]))
('Chemical potentials', array([-41917.37914146, -36921.89675873, -49204.19725088]))
('Chem pot progress', array([ 6.94490991, 68.00393528, -839.74176663]))
('Energy progress', -19.046219401927374)
('Driving force', 23.709947391864262)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6106205 0.35752807 0.03185143], NP=0.8352668428878044), CompositionSet(BCC_A2, [ 0.11945238 0.79756982 0.0829778 ], NP=0.1647331571121956)])
('reduced_hessian eigenvalues', array([ 3.61849372e+03, 1.41704257e+04, 2.17796443e+04,
1.26663248e+06, 6.47995164e+08]))
('NEW_L_MULTIPLIERS', array([ -5824.48085423, -20121.96380276, 1275.19185739, -4059.96208684,
-41881.91158801, -36933.91064011, -49205.68224501]))
('L_CONSTRAINTS', array([ 1.38777878e-17, -1.48535698e-17, 4.16333634e-17,
0.00000000e+00, -2.91175467e-04, 1.75382845e-05,
2.73637182e-04]))
('penalty', 10000)
('old_driving_force', -40031.250040204723, 0.00029117546652102089)
('sublsum', -9.7335996961123872)
(1.0, -40040.221549285146, 0.00010592261057429386)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60361778 0.36431628 0.03206593], NP=0.8474885083729776), CompositionSet(BCC_A2, [ 0.12028659 0.79569124 0.08402218], NP=0.15251149162702232)])
('step', array([ -1.05040860e-02, 1.02116668e-02, 2.92419168e-04,
1.88168593e-08, -5.86963245e-05, 5.86775077e-05,
8.34203346e-04, -1.87857777e-03, 1.04437442e-03,
0.00000000e+00, 1.22216655e-02, -1.22216655e-02]))
('conv_angle', 65.489569246329125)
('Site fractions', array([ 9.05425761e-01, 4.68363687e-02, 4.77378698e-02,
1.82145105e-06, 9.99276117e-01, 7.22061267e-04,
1.20286585e-01, 7.95691239e-01, 8.40221757e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.84748851, 0.15251149]))
('Chemical potentials', array([-41881.91158801, -36933.91064011, -49205.68224501]))
('Chem pot progress', array([ 35.46755345, -12.01388138, -1.48499414]))
('Energy progress', -2.7507897806863184)
('Driving force', 4.8820051938964752)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60361778 0.36431628 0.03206593], NP=0.8474885083729776), CompositionSet(BCC_A2, [ 0.12028659 0.79569124 0.08402218], NP=0.15251149162702232)])
('reduced_hessian eigenvalues', array([ 3.36212849e+03, 1.24171053e+04, 1.66958164e+04,
1.17707262e+06, 6.48262970e+08]))
('NEW_L_MULTIPLIERS', array([ -5836.99296891, -20145.15694793, 1258.05670317, -4004.47549927,
-41871.66110629, -36936.88359441, -49192.10070502]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 4.95480393e-17, -5.55111512e-17,
0.00000000e+00, -9.57802276e-05, 1.05922611e-04,
-1.01423830e-05]))
('penalty', 10000)
('old_driving_force', -40040.220114839416, 0.00010592261057429386)
('sublsum', -0.17531116337246114)
(1.0, -40042.362208206701, 3.2451720931025996e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60250538 0.36534337 0.03215125], NP=0.8495615585078438), CompositionSet(BCC_A2, [ 0.12052627 0.79515291 0.08432082], NP=0.15043844149215632)])
('step', array([ -1.66859952e-03, 1.54754325e-03, 1.21056265e-04,
5.94459125e-09, -1.38398623e-05, 1.38339177e-05,
2.39684825e-04, -5.38327150e-04, 2.98642325e-04,
0.00000000e+00, 2.07305013e-03, -2.07305013e-03]))
('conv_angle', 68.669542019553106)
('Site fractions', array([ 9.03757162e-01, 4.83839119e-02, 4.78589261e-02,
1.82739564e-06, 9.99262277e-01, 7.35895185e-04,
1.20526270e-01, 7.95152912e-01, 8.43208180e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.84956156, 0.15043844]))
('Chemical potentials', array([-41871.66110629, -36936.88359441, -49192.10070502]))
('Chem pot progress', array([ 10.25048171, -2.97295431, 13.58153999]))
('Energy progress', -0.6662442433225806)
('Driving force', 0.097248485857562628)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60250538 0.36534337 0.03215125], NP=0.8495615585078438), CompositionSet(BCC_A2, [ 0.12052627 0.79515291 0.08432082], NP=0.15043844149215632)])
('reduced_hessian eigenvalues', array([ 3.31483101e+03, 1.21177403e+04, 1.61071640e+04,
1.15727826e+06, 6.47329224e+08]))
('NEW_L_MULTIPLIERS', array([ -5837.24506216, -20145.56779265, 1257.76002286, -4003.51747288,
-41871.44476008, -36936.95174829, -49191.80457933]))
('L_CONSTRAINTS', array([ -6.93889390e-18, -6.79794762e-17, 2.77555756e-17,
0.00000000e+00, -2.80293485e-06, 3.24517209e-06,
-4.42237240e-07]))
('penalty', 10000)
('old_driving_force', -40042.362207248167, 3.2451720931025996e-06)
('sublsum', -4.3818133018467023e-05)
(1.0, -40042.427112380188, 1.0111080306351994e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60248743 0.36535975 0.03215282], NP=0.8495973357712695), CompositionSet(BCC_A2, [ 0.12053165 0.79514103 0.08432732], NP=0.15040266422873044)])
('step', array([ -2.69257286e-05, 2.47344082e-05, 2.19132047e-06,
1.32877447e-10, -3.17396016e-07, 3.17263139e-07,
5.37792172e-06, -1.18773844e-05, 6.49946269e-06,
0.00000000e+00, 3.57772634e-05, -3.57772634e-05]))
('conv_angle', 70.249690856106938)
('Site fractions', array([ 9.03730236e-01, 4.84086463e-02, 4.78611174e-02,
1.82752852e-06, 9.99261960e-01, 7.36212448e-04,
1.20531648e-01, 7.95141035e-01, 8.43273174e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.84959734, 0.15040266]))
('Chemical potentials', array([-41871.44476008, -36936.95174829, -49191.80457933]))
('Chem pot progress', array([ 0.21634621, -0.06815387, 0.29612569]))
('Energy progress', -0.019266245828475803)
('Driving force', 2.5175191694870591e-05)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60248743 0.36535975 0.03215282], NP=0.8495973357712695), CompositionSet(BCC_A2, [ 0.12053165 0.79514103 0.08432732], NP=0.15040266422873044)])
('reduced_hessian eigenvalues', array([ 3.31451422e+03, 1.21128044e+04, 1.60989427e+04,
1.15681669e+06, 6.47302431e+08]))
('NEW_L_MULTIPLIERS', array([ -5837.24509741, -20145.56784224, 1257.75993392, -4003.51719995,
-41871.44470372, -36936.95176264, -49191.80454238]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 2.05998413e-18, 5.55111512e-17,
0.00000000e+00, -8.34625147e-10, 1.01110803e-09,
-1.76483085e-10]))
('penalty', 10000)
('old_driving_force', -40042.427112380188, 1.0111080306351994e-09)
('sublsum', -2.5259530018157562e-12)
(1.0, -40042.427132602323, 1.2490009027033011e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60248743 0.36535975 0.03215282], NP=0.8495973459739732), CompositionSet(BCC_A2, [ 0.12053165 0.79514104 0.08432732], NP=0.15040265402602693)])
('step', array([ -6.96430556e-09, 5.89970918e-09, 1.06459642e-09,
1.92784816e-13, -1.43900557e-10, 1.43707770e-10,
-9.18276597e-10, 4.85301402e-10, 4.32975139e-10,
0.00000000e+00, 1.02027037e-08, -1.02027035e-08]))
('conv_angle', 73.696905349971914)
('Site fractions', array([ 9.03730229e-01, 4.84086522e-02, 4.78611185e-02,
1.82752871e-06, 9.99261960e-01, 7.36212592e-04,
1.20531647e-01, 7.95141035e-01, 8.43273179e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.84959735, 0.15040265]))
('Chemical potentials', array([-41871.44470372, -36936.95176264, -49191.80454238]))
('Chem pot progress', array([ 5.63550275e-05, -1.43514844e-05, 3.69542540e-05]))
('Energy progress', -6.281203241087496e-06)
('Driving force', 2.1827872842550278e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.12053165 0.79514104 0.08432732], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12053164 0.79514112 0.08432724], NP=1.0), -2.4010660126805305e-10), (CompositionSet(BCC_A2, [ 0.12053164 0.79514111 0.08432725], NP=1.0), -1.7462298274040222e-10), (CompositionSet(BCC_A2, [ 0.12053165 0.79514104 0.08432732], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.12053165 0.79514109 0.08432726], NP=1.0), -1.382431946694851e-10), (CompositionSet(BCC_A2, [ 0.1205316 0.79514108 0.08432732], NP=1.0), -7.275957614183426e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.60248745 0.36535974 0.03215282], NP=1.0), -5.820766091346741e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.8316271803064403), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.1683728196935598)])
('reduced_hessian eigenvalues', array([ 4.36988985e+03, 5.62829765e+03, 1.18854943e+14,
5.02151308e+14, 1.43352514e+15]))
('NEW_L_MULTIPLIERS', array([ -5108.92235492, -17158.81337531, 2847.15076182, -8480.25328076,
-41423.88667001, -37922.97272191, -42007.93728795]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, 0.00000000e+00, 3.17788304e-02,
-3.17788304e-02]))
('penalty', 10000)
('old_driving_force', -38906.985968724883, 0.03177883039007795)
('sublsum', -656.33478130191827)
(1.0, -39215.812089684936, 0.028401100234427712)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 2.91599292e-11], NP=0.6762378230295608), CompositionSet(BCC_A2, [ 0.12593715 0.67697706 0.19708579], NP=0.32376217697043913)])
('step', array([ 1.31623363e-01, -1.31623363e-01, 3.00592884e-11,
1.65383811e-11, -4.08994366e-11, 2.43612110e-11,
-3.55134567e-02, -5.33531461e-02, 8.88666029e-02,
0.00000000e+00, -1.55389357e-01, 1.55389357e-01]))
('conv_angle', 88.958786816169521)
('Site fractions', array([ 1.00000000e+00, 1.00000000e-12, 3.10592884e-11,
1.75383811e-11, 1.00000000e+00, 2.53612110e-11,
1.25937146e-01, 6.76977065e-01, 1.97085790e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.67623782, 0.32376218]))
('Chemical potentials', array([-41423.88667001, -37922.97272191, -42007.93728795]))
('Chem pot progress', array([ -228.64091858, -896.40349376, 7008.32112323]))
('Energy progress', 52.952225358028954)
('Driving force', 163.86210822077555)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 2.91599292e-11], NP=0.6762378230295608), CompositionSet(BCC_A2, [ 0.12593715 0.67697706 0.19708579], NP=0.32376217697043913)])
('reduced_hessian eigenvalues', array([ 8.72467492e+03, 1.59263118e+13, 2.75218230e+13,
7.59958659e+13, 7.92761702e+14]))
('NEW_L_MULTIPLIERS', array([ -5506.93999088, -17635.42452845, 2593.23305777, -7490.26784011,
-40797.2031338 , -37790.19119899, -45068.32701694]))
('L_CONSTRAINTS', array([ 3.20592884e-11, 5.33467407e-17, -5.55111512e-17,
0.00000000e+00, -2.84011002e-02, 1.45921760e-02,
1.38089243e-02]))
('penalty', 10000)
('old_driving_force', -39157.690469000001, 0.028401100234427712)
('sublsum', -17.415358099547817)
(1.0, -39712.780587766851, 0.0010079347222553547)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 6.51568398e-10], NP=0.7117831097948832), CompositionSet(BCC_A2, [ 0.1542935 0.66963445 0.17607205], NP=0.2882168902043571)])
('step', array([ -7.72436438e-10, 3.65983389e-11, 7.03778811e-10,
2.07952275e-10, -6.67620102e-10, 4.59667783e-10,
2.83563532e-02, -7.34261443e-03, -2.10137388e-02,
0.00000000e+00, 3.55452868e-02, -3.55452868e-02]))
('conv_angle', 89.853658994890637)
('Site fractions', array([ 9.99999999e-01, 3.75983389e-11, 7.34838100e-10,
2.25490656e-10, 9.99999999e-01, 4.85028994e-10,
1.54293499e-01, 6.69634450e-01, 1.76072051e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.71178311, 0.28821689]))
('Chemical potentials', array([-40797.2031338 , -37790.19119899, -45068.32701694]))
('Chem pot progress', array([ 626.68353621, 132.78152293, -3060.38972899]))
('Energy progress', 5.468517265690025)
('Driving force', -15.195086220213852)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 6.51568398e-10], NP=0.7117831097948832), CompositionSet(BCC_A2, [ 0.1542935 0.66963445 0.17607205], NP=0.2882168902043571)])
('reduced_hessian eigenvalues', array([ 6.62450930e+03, 6.85723162e+11, 1.35784828e+12,
5.43717167e+12, 2.93777391e+13]))
('NEW_L_MULTIPLIERS', array([ -5504.28418179, -17623.63892371, 2591.95721143, -7528.83647024,
-40818.58993696, -37747.41899008, -45513.91673859]))
('L_CONSTRAINTS', array([ -9.53298948e-18, -2.29810922e-17, 0.00000000e+00,
0.00000000e+00, -1.00793472e-03, 2.60995329e-04,
7.46939393e-04]))
('penalty', 10000)
('old_driving_force', -39712.480479098871, 0.0010079347222553547)
('sublsum', -0.46372638387375309)
(1.0, -39732.775069831907, 4.9180901360301732e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666657e-01 3.33333331e-01 1.18893498e-08], NP=0.7108343650851932), CompositionSet(BCC_A2, [ 0.15947728 0.66762188 0.17290085], NP=0.28916563491480674)])
('step', array([ -1.41891859e-08, 7.68794591e-10, 1.34203913e-08,
1.96313911e-09, -8.83570053e-09, 6.87256144e-09,
5.18377782e-03, -2.01257290e-03, -3.17120491e-03,
0.00000000e+00, -9.48744710e-04, 9.48744710e-04]))
('conv_angle', 89.958900982552152)
('Site fractions', array([ 9.99999985e-01, 8.06392930e-10, 1.41552294e-08,
2.18862976e-09, 9.99999990e-01, 7.35759044e-09,
1.59477277e-01, 6.67621878e-01, 1.72900846e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.71083437, 0.28916563]))
('Chemical potentials', array([-40818.58993696, -37747.41899008, -45513.91673859]))
('Chem pot progress', array([ -21.38680317, 42.77220891, -445.58972165]))
('Energy progress', 2.479567720074556)
('Driving force', -0.12066175090149045)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666657e-01 3.33333331e-01 1.18893498e-08], NP=0.7108343650851932), CompositionSet(BCC_A2, [ 0.15947728 0.66762188 0.17290085], NP=0.28916563491480674)])
('reduced_hessian eigenvalues', array([ 6.47958231e+03, 3.92003281e+10, 8.75447981e+10,
5.14985355e+11, 1.37940334e+12]))
('NEW_L_MULTIPLIERS', array([ -5503.93108111, -17622.22399894, 2592.35797606, -7530.03283023,
-40818.48216846, -37747.69346848, -45515.37376702]))
('L_CONSTRAINTS', array([ -2.96855981e-17, 1.25807388e-17, -5.55111512e-17,
0.00000000e+00, 4.91809014e-06, -1.90941559e-06,
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2.52282056e-08, -7.21527664e-05, 7.21275382e-05,
9.53633230e-04, -1.96059454e-03, 1.00696131e-03,
0.00000000e+00, 1.20405352e-02, -1.20405352e-02]))
('conv_angle', 65.72523918774823)
('Site fractions', array([ 8.96199365e-01, 4.61513114e-02, 5.76493239e-02,
2.09350332e-06, 9.99059153e-01, 9.38753346e-04,
1.24850125e-01, 7.67887483e-01, 1.07262392e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.83589262, 0.16410738]))
('Chemical potentials', array([-41858.1481415 , -37108.51043617, -47801.87780604]))
('Chem pot progress', array([ 41.44327478, -12.57773509, -25.57144918]))
('Energy progress', -0.8635452925445861)
('Driving force', 4.673695366778702)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59746694 0.36378726 0.0387458 ], NP=0.83589262160423), CompositionSet(BCC_A2, [ 0.12485013 0.76788748 0.10726239], NP=0.16410737839577003)])
('reduced_hessian eigenvalues', array([ 3.33266662e+03, 1.15404522e+04, 1.57000893e+04,
8.94375999e+05, 5.56904202e+08]))
('NEW_L_MULTIPLIERS', array([ -5795.86972544, -19753.20274598, 1380.03799144, -4294.36552584,
-41847.8384448 , -37112.12518879, -47787.86874675]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -3.33934269e-17, -9.71445147e-17,
0.00000000e+00, -9.29656313e-05, 1.03087041e-04,
-1.01214097e-05]))
('penalty', 10000)
('old_driving_force', -40106.253502376356, 0.00010308704104117217)
('sublsum', -0.1583584844448867)
(1.0, -40108.330253246684, 3.2463287592543466e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5963978 0.36475814 0.03884406], NP=0.8378903721064584), CompositionSet(BCC_A2, [ 0.12510897 0.76723337 0.10765766], NP=0.16210962789354158)])
('step', array([ -1.60370875e-03, 1.46487274e-03, 1.38836011e-04,
7.59735261e-09, -1.71127453e-05, 1.71051479e-05,
2.58846210e-04, -6.54114512e-04, 3.95268302e-04,
0.00000000e+00, 1.99775050e-03, -1.99775050e-03]))
('conv_angle', 69.146293164119314)
('Site fractions', array([ 8.94595656e-01, 4.76161842e-02, 5.77881599e-02,
2.10110067e-06, 9.99042040e-01, 9.55858494e-04,
1.25108972e-01, 7.67233368e-01, 1.07657660e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.83789037, 0.16210963]))
('Chemical potentials', array([-41847.8384448 , -37112.12518879, -47787.86874675]))
('Chem pot progress', array([ 10.3096967 , -3.61475262, 14.00905929]))
('Energy progress', -0.6093505707103759)
('Driving force', 0.088079990528058261)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5963978 0.36475814 0.03884406], NP=0.8378903721064584), CompositionSet(BCC_A2, [ 0.12510897 0.76723337 0.10765766], NP=0.16210962789354158)])
('reduced_hessian eigenvalues', array([ 3.29232402e+03, 1.13110516e+04, 1.51192961e+04,
8.80056787e+05, 5.55866291e+08]))
('NEW_L_MULTIPLIERS', array([ -5796.11651306, -19753.57403518, 1379.76233946, -4293.48866586,
-41847.63070628, -37112.20606804, -47787.57281198]))
('L_CONSTRAINTS', array([ -6.93889390e-18, -1.43114687e-17, 4.16333634e-17,
0.00000000e+00, -2.65297839e-06, 3.24632876e-06,
-5.93350370e-07]))
('penalty', 10000)
('old_driving_force', -40108.330252257409, 3.2463287592543466e-06)
('sublsum', -3.5657778242132272e-05)
(1.0, -40108.395177839986, 9.4118546289934102e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5963814 0.36477277 0.03884584], NP=0.8379232630496312), CompositionSet(BCC_A2, [ 0.12511452 0.76721938 0.1076661 ], NP=0.16207673695036892)])
('step', array([ -2.46113238e-05, 2.21344382e-05, 2.47688561e-06,
1.66532974e-10, -3.78027448e-07, 3.77860915e-07,
5.54886938e-06, -1.39850547e-05, 8.43618531e-06,
0.00000000e+00, 3.28909432e-05, -3.28909432e-05]))
('conv_angle', 70.888933324110965)
('Site fractions', array([ 8.94571045e-01, 4.76383186e-02, 5.77906368e-02,
2.10126721e-06, 9.99041662e-01, 9.56236355e-04,
1.25114520e-01, 7.67219383e-01, 1.07666097e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.83792326, 0.16207674]))
('Chemical potentials', array([-41847.63070628, -37112.20606804, -47787.57281198]))
('Chem pot progress', array([ 0.20773852, -0.08087925, 0.29593477]))
('Energy progress', -0.018909285267000087)
('Driving force', 2.0459890947677195e-05)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5963814 0.36477277 0.03884584], NP=0.8379232630496312), CompositionSet(BCC_A2, [ 0.12511452 0.76721938 0.1076661 ], NP=0.16207673695036892)])
('reduced_hessian eigenvalues', array([ 3.29137067e+03, 1.13085755e+04, 1.51102444e+04,
8.79742177e+05, 5.55838302e+08]))
('NEW_L_MULTIPLIERS', array([ -5796.11667838, -19753.57414302, 1379.76230314, -4293.48849239,
-41847.63065554, -37112.2060966 , -47787.57268488]))
('L_CONSTRAINTS', array([ 3.46944695e-17, 3.36102673e-18, -2.77555756e-17,
0.00000000e+00, -7.22165439e-10, 9.41185463e-10,
-2.19019955e-10]))
('penalty', 10000)
('old_driving_force', -40108.395177839986, 9.4118546289934102e-10)
('sublsum', -1.62787805127189e-12)
(1.0, -40108.395196663689, 8.3266726846886741e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59638139 0.36477277 0.03884584], NP=0.8379232688923427), CompositionSet(BCC_A2, [ 0.12511452 0.76721938 0.1076661 ], NP=0.1620767311076573)])
('step', array([ -4.23509829e-09, 4.42025913e-09, -1.85160878e-10,
1.58648751e-13, -1.38444337e-10, 1.38285685e-10,
2.06344411e-09, -6.29555275e-09, 4.23210867e-09,
0.00000000e+00, 5.84271157e-09, -5.84271162e-09]))
('conv_angle', 71.292940309579564)
('Site fractions', array([ 8.94571040e-01, 4.76383230e-02, 5.77906366e-02,
2.10126737e-06, 9.99041662e-01, 9.56236494e-04,
1.25114522e-01, 7.67219377e-01, 1.07666101e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.83792327, 0.16207673]))
('Chemical potentials', array([-41847.63065554, -37112.2060966 , -47787.57268488]))
('Chem pot progress', array([ 5.07415098e-05, -2.85590650e-05, 1.27094288e-04]))
('Energy progress', -5.757865437772125e-06)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.12511452 0.76721938 0.1076661 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.12511452 0.76721938 0.1076661 ], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.12511452 0.76721938 0.1076661 ], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12511444 0.76721944 0.10766612], NP=1.0), -2.1827872842550278e-10), (CompositionSet(BCC_A2, [ 0.12511445 0.76721946 0.10766608], NP=1.0), -1.4551915228366852e-10), (CompositionSet(BCC_A2, [ 0.12511453 0.7672194 0.10766607], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.12511452 0.76721937 0.10766611], NP=1.0), -2.1827872842550278e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.59638142 0.36477275 0.03884583], NP=1.0), -3.637978807091713e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.13115701 0.16402499 0.704818 ], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.26127701 0.02631666 0.71240633], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 10415.24972856, -26901.44025335, -45542.46271158, -14621.7212884 ,
-42707.24160656]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 8.12770114e-02,
-1.53683340e-01, 7.24063286e-02]))
('penalty', 10000)
('old_driving_force', -34133.495721647741, 0.15368334002093165)
('sublsum', -5035.9730524204615)
(1.0, -41472.506870136451, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=0.9999999999999999)])
('step', array([ -8.12770114e-02, 1.53683340e-01, -7.24063286e-02,
0.00000000e+00, -9.33377078e-17]))
('conv_angle', 43.952988432402904)
('Site fractions', array([ 0.18, 0.18, 0.64, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45542.46271158, -14621.7212884 , -42707.24160656]))
('Chem pot progress', array([ -2141.55628072, 24729.73022956, -1468.66986035]))
('Energy progress', -184.39652177604876)
('Driving force', -3310.3191219436412)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=0.9999999999999999)])
('NEW_L_MULTIPLIERS', array([ 7892.239444 , -27659.82441353, -44578.09052032, -39607.70163318,
-41123.53794141]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -41472.506870136451, 1.1102230246251565e-16)
('sublsum', -2.9080568410067392e-28)
(1.0, -41472.506870136458, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=1.0)])
('step', array([ -1.99840144e-17, -1.99840144e-17, -7.10542736e-17,
0.00000000e+00, 1.11022302e-16]))
('conv_angle', 81.475065384239386)
('Site fractions', array([ 0.18, 0.18, 0.64, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-44578.09052032, -39607.70163318, -41123.53794141]))
('Chem pot progress', array([ 964.37219126, -24985.98034479, 1583.70366514]))
('Energy progress', -7.275957614183426e-12)
('Driving force', -7.2759576141834259e-12)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 7892.239444 , -27659.82441353, -44578.09052032, -39607.70163318,
-41123.53794141]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -41472.506870136458, 1.1102230246251565e-16)
('sublsum', 9.5319640899665293e-28)
(1.0, -41472.506870136451, 1.1102230246251565e-16)
(0.5, -41472.506870136458, 1.1102230246251565e-16)
(0.25, -41472.506870136458, 1.1102230246251565e-16)
(0.125, -41472.506870136458, 1.1102230246251565e-16)
(0.0625, -41472.506870136458, 1.1102230246251565e-16)
(0.03125, -41472.506870136458, 1.1102230246251565e-16)
(0, -41472.506870136458, 1.1102230246251565e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=1.0)])
('step', array([ 1.99840144e-17, 1.99840144e-17, 7.10542736e-17,
0.00000000e+00, -1.11022302e-16]))
('conv_angle', 133.40590092816234)
('Site fractions', array([ 0.18, 0.18, 0.64, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-44578.09052032, -39607.70163318, -41123.53794141]))
('Chem pot progress', array([ 7.27595761e-12, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.18000001 0.17999998 0.64000002], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.18 0.17999999 0.64000001], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.17999998 0.18000007 0.63999996], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.17999998 0.18000006 0.63999996], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.18 0.18 0.64], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.13115701 0.16402499 0.704818 ], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.26127701 0.02631666 0.71240633], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 10374.62980591, -26944.03685171, -45980.04749194, -14780.84693168,
-42528.90294959]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 9.12770114e-02,
-1.53683340e-01, 6.24063286e-02]))
('penalty', 10000)
('old_driving_force', -34100.78650077551, 0.15368334002093165)
('sublsum', -5038.5278376912638)
(1.0, -41434.559490859639, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.17 0.18 0.65], NP=0.9999999999999999)])
('step', array([ -9.12770114e-02, 1.53683340e-01, -6.24063286e-02,
0.00000000e+00, -1.00707522e-16]))
('conv_angle', 43.863040974427804)
('Site fractions', array([ 0.17, 0.18, 0.65, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45980.04749194, -14780.84693168, -42528.90294959]))
('Chem pot progress', array([ -2579.14106108, 24570.60458628, -1290.33120338]))
('Energy progress', -168.07248934573727)
('Driving force', -3313.6120522939891)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.17 0.18 0.65], NP=0.9999999999999999)])
('NEW_L_MULTIPLIERS', array([ 7838.42741067, -27716.57149138, -45094.55067577, -39718.08430391,
-40952.66261735]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -41434.559490859639, 1.1102230246251565e-16)
('sublsum', -3.5542916945637895e-28)
(1.0, -41434.559490859632, 1.1102230246251565e-16)
(0.5, -41434.559490859639, 1.1102230246251565e-16)
(0.25, -41434.559490859639, 1.1102230246251565e-16)
(0.125, -41434.559490859639, 1.1102230246251565e-16)
(0.0625, -41434.559490859639, 1.1102230246251565e-16)
(0.03125, -41434.559490859639, 1.1102230246251565e-16)
(0, -41434.559490859639, 1.1102230246251565e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.17 0.18 0.65], NP=0.9999999999999999)])
('step', array([ -1.88737914e-17, -1.99840144e-17, -7.21644966e-17,
0.00000000e+00, 1.11022302e-16]))
('conv_angle', 78.441656781747255)
('Site fractions', array([ 0.17, 0.18, 0.65, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45094.55067577, -39718.08430391, -40952.66261735]))
('Chem pot progress', array([ 885.49681616, -24937.23737223, 1576.24033224]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.17 0.18 0.65], NP=0.9999999999999999)])
('NEW_L_MULTIPLIERS', array([ 7838.42741067, -27716.57149138, -45094.55067577, -39718.08430391,
-40952.66261735]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -41434.559490859639, 1.1102230246251565e-16)
('sublsum', -2.8272774843121052e-28)
(1.0, -41434.559490859632, 1.1102230246251565e-16)
(0.5, -41434.559490859639, 1.1102230246251565e-16)
(0.25, -41434.559490859639, 1.1102230246251565e-16)
(0.125, -41434.559490859639, 1.1102230246251565e-16)
(0.0625, -41434.559490859639, 1.1102230246251565e-16)
(0.03125, -41434.559490859639, 1.1102230246251565e-16)
(0, -41434.559490859639, 1.1102230246251565e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.17 0.18 0.65], NP=0.9999999999999999)])
('step', array([ -1.88737914e-17, -1.99840144e-17, -7.21644966e-17,
0.00000000e+00, 1.11022302e-16]))
('conv_angle', 78.277448179267864)
('Site fractions', array([ 0.17, 0.18, 0.65, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45094.55067577, -39718.08430391, -40952.66261735]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.17 0.18 0.65], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.17 0.18000002 0.64999998], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.17 0.17999999 0.65000001], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.17 0.18 0.65], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16999995 0.18000004 0.65000002], NP=1.0), -6.548361852765083e-11), (CompositionSet(BCC_A2, [ 0.17000001 0.17999998 0.65000001], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.17 0.18 0.65], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16999995 0.18000004 0.65000002], NP=1.0), -6.548361852765083e-11), (CompositionSet(BCC_A2, [ 0.17 0.18 0.65], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.17000001 0.17999999 0.65 ], NP=1.0), 7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.13115701 0.16402499 0.704818 ], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.26127701 0.02631666 0.71240633], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 10765.99892673, -26752.32575285, -45858.38162403, -12679.76281292,
-42744.70138194]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 9.12770114e-02,
-1.63683340e-01, 7.24063286e-02]))
('penalty', 10000)
('old_driving_force', -33274.873598982536, 0.16368334002093166)
('sublsum', -5712.2236954079672)
(1.0, -41421.378463521636, 2.7755575615628914e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=0.9999999999999999)])
('step', array([ -9.12770114e-02, 1.63683340e-01, -7.24063286e-02,
0.00000000e+00, -9.01218103e-17]))
('conv_angle', 43.889398630097091)
('Site fractions', array([ 0.17, 0.19, 0.64, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45858.38162403, -12679.76281292, -42744.70138194]))
('Chem pot progress', array([ -2457.47519317, 26671.68870504, -1506.12963573]))
('Energy progress', -173.76266429022508)
('Driving force', -3859.6897685427466)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=0.9999999999999999)])
('NEW_L_MULTIPLIERS', array([ 7982.54452473, -27612.73061499, -44890.48152838, -39632.1245336 ,
-41031.08272236]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-2.77555756e-17, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -41421.378463521636, 2.7755575615628914e-17)
('sublsum', -2.362796183317974e-28)
(1.0, -41421.378463521636, 1.1102230246251565e-16)
(0.5, -41421.378463521636, 2.7755575615628914e-17)
(0.25, -41421.378463521636, 2.7755575615628914e-17)
(0.125, -41421.378463521636, 2.7755575615628914e-17)
(0.0625, -41421.378463521636, 2.7755575615628914e-17)
(0.03125, -41421.378463521636, 2.7755575615628914e-17)
(0, -41421.378463521636, 2.7755575615628914e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=0.9999999999999999)])
('step', array([ -4.71844785e-18, 2.24820162e-17, -1.77635684e-17,
0.00000000e+00, 2.77555756e-17]))
('conv_angle', 55.135543756934574)
('Site fractions', array([ 0.17, 0.19, 0.64, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-44890.48152838, -39632.1245336 , -41031.08272236]))
('Chem pot progress', array([ 967.90009565, -26952.36172068, 1713.61865957]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=0.9999999999999999)])
('NEW_L_MULTIPLIERS', array([ 7982.54452473, -27612.73061499, -44890.48152838, -39632.1245336 ,
-41031.08272236]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-2.77555756e-17, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -41421.378463521636, 2.7755575615628914e-17)
('sublsum', -2.362796183317974e-28)
(1.0, -41421.378463521636, 1.1102230246251565e-16)
(0.5, -41421.378463521636, 2.7755575615628914e-17)
(0.25, -41421.378463521636, 2.7755575615628914e-17)
(0.125, -41421.378463521636, 2.7755575615628914e-17)
(0.0625, -41421.378463521636, 2.7755575615628914e-17)
(0.03125, -41421.378463521636, 2.7755575615628914e-17)
(0, -41421.378463521636, 2.7755575615628914e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=0.9999999999999999)])
('step', array([ -4.71844785e-18, 2.24820162e-17, -1.77635684e-17,
0.00000000e+00, 2.77555756e-17]))
('conv_angle', 55.135543756934574)
('Site fractions', array([ 0.17, 0.19, 0.64, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-44890.48152838, -39632.1245336 , -41031.08272236]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.17 0.18999999 0.64 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.17000001 0.18999998 0.64000001], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.17 0.19 0.64], NP=1.0), -2.1827872842550278e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.13115701 0.16402499 0.704818 ], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.26127701 0.02631666 0.71240633], NP=0.9999999999999999)])
('NEW_L_MULTIPLIERS', array([ 10725.37900408, -26794.92235122, -46295.96640439, -12838.8884562 ,
-42566.36272497]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 1.01277011e-01,
-1.63683340e-01, 6.24063286e-02]))
('penalty', 10000)
('old_driving_force', -33236.595195368755, 0.16368334002093166)
('sublsum', -5720.3476634203189)
(1.0, -41379.236129351746, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16 0.19 0.65], NP=1.0)])
('step', array([ -1.01277011e-01, 1.63683340e-01, -6.24063286e-02,
0.00000000e+00, 6.24789494e-17]))
('conv_angle', 43.878659273289252)
('Site fractions', array([ 0.16, 0.19, 0.65, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-46295.96640439, -12838.8884562 , -42566.36272497]))
('Chem pot progress', array([ -2895.05997353, 26512.56306176, -1327.79097876]))
('Energy progress', -153.24367696684931)
('Driving force', -3864.3569267415514)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16 0.19 0.65], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 7928.40347867, -27669.55494437, -45435.47246993, -39743.66263328,
-40858.86866745]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 2.77555756e-17,
2.77555756e-17, 1.11022302e-16]))
('penalty', 10000)
('old_driving_force', -41379.236129351746, 1.1102230246251565e-16)
('sublsum', -2.7868878059647925e-28)
(1.0, -41379.236129351739, 1.1102230246251565e-16)
(0.5, -41379.236129351746, 1.1102230246251565e-16)
(0.25, -41379.236129351746, 1.1102230246251565e-16)
(0.125, -41379.236129351746, 1.1102230246251565e-16)
(0.0625, -41379.236129351746, 1.1102230246251565e-16)
(0.03125, -41379.236129351746, 1.1102230246251565e-16)
(0, -41379.236129351746, 1.1102230246251565e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.16 0.19 0.65], NP=1.0)])
('step', array([ -1.88737914e-17, -1.72084569e-17, -7.49400542e-17,
0.00000000e+00, -5.55111512e-17]))
('conv_angle', 76.779446505996816)
('Site fractions', array([ 0.16, 0.19, 0.65, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45435.47246993, -39743.66263328, -40858.86866745]))
('Chem pot progress', array([ 860.49393446, -26904.77417708, 1707.49405752]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16 0.19 0.65], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 7928.40347867, -27669.55494437, -45435.47246993, -39743.66263328,
-40858.86866745]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 2.77555756e-17,
2.77555756e-17, 1.11022302e-16]))
('penalty', 1000.0)
('old_driving_force', -41379.236129351746, 1.1102230246251565e-16)
('sublsum', 9.4915744116192126e-28)
(1.0, -41379.236129351739, 1.1102230246251565e-16)
(0.5, -41379.236129351746, 1.1102230246251565e-16)
(0.25, -41379.236129351746, 1.1102230246251565e-16)
(0.125, -41379.236129351746, 1.1102230246251565e-16)
(0.0625, -41379.236129351746, 1.1102230246251565e-16)
(0.03125, -41379.236129351746, 1.1102230246251565e-16)
(0, -41379.236129351746, 1.1102230246251565e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.16 0.19 0.65], NP=1.0)])
('step', array([ -1.88737914e-17, -1.72084569e-17, -7.49400542e-17,
0.00000000e+00, -5.55111512e-17]))
('conv_angle', 162.54662027728213)
('Site fractions', array([ 0.16, 0.19, 0.65, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-45435.47246993, -39743.66263328, -40858.86866745]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.15999997 0.19000007 0.64999995], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16 0.19 0.65], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16 0.19 0.65], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.15999999 0.19000002 0.64999998], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.16000001 0.18999997 0.65000001], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.16 0.19 0.65], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.16 0.19000001 0.65 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.16 0.18999999 0.65000001], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.16 0.19 0.65], NP=1.0), 7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.38894662413559156), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0566230402563945), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.554430335608014)])
('reduced_hessian eigenvalues', array([ -7.65764845e+01, 5.85486407e+03, 7.70568108e+03,
9.43825372e+13, 2.10719768e+14, 2.82203564e+14,
6.05745307e+14, 7.50283356e+14]))
('reduced_hessian modified eigenvalues', array([ 7.65730819e+01, 5.85490181e+03, 7.70564221e+03,
9.43825372e+13, 2.10719768e+14, 2.82203564e+14,
6.05745307e+14, 7.50283356e+14]))
('NEW_L_MULTIPLIERS', array([ 395.6494144 , 1584.12052158, -13958.48931482, 63773.72858158,
24831.20087251, -80332.16450938, -41251.99127924, -37051.59183134,
-62676.30735171]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.99922887e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, -1.11022302e-16, -6.93889390e-18]))
('penalty', 10000)
('old_driving_force', -39064.100219593216, 1.9992288680364425e-16)
('sublsum', -1032.0349964278348)
(1.0, -30838.850233126392, 0.38000000000141221)
(0.5, -32623.54392392706, 0.44641727886258986)
(0.25, -34286.659916908044, 0.39701982219607157)
(0.125, -36845.27694543689, 0.2176035896468973)
(0.0625, -38349.900840888302, 0.073871967393271398)
(0.03125, -39021.055760046977, 0.0069698867433610756)
(0, -39064.100219593216, 1.9992288480354738e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.38894662413559156), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0566230402563945), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.554430335608014)])
('step', array([ -7.06708615e-03, 7.06708616e-03, -8.29121101e-12,
-3.25671469e-12, 1.04298476e-11, -7.17298153e-12,
-1.08580674e-09, 2.21692150e-09, -1.13111447e-09,
0.00000000e+00, -2.21036969e-01, 6.96470003e-01,
-4.75433034e-01, 0.00000000e+00, -4.53719215e-01,
-1.98202721e+00, 2.43574642e+00]))
('conv_angle', 89.845546174974231)
('Site fractions', array([ 8.88888889e-01, 1.11111111e-01, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.61450602e-01, 7.30330211e-01,
1.08219187e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.38894662, 0.05662304, 0.55443034]))
('Chemical potentials', array([-41251.99127924, -37051.59183134, -62676.30735171]))
('Chem pot progress', array([ 135.4193093 , -304.53509352, -12060.41312145]))
('Energy progress', 0.0)
('Driving force', 869.10236629415886)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.38894662413559156), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0566230402563945), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.554430335608014)])
('reduced_hessian eigenvalues', array([ -2.70634762e+03, 5.89544045e+03, 7.35892262e+03,
9.43825372e+13, 2.10719768e+14, 2.82203564e+14,
6.05745307e+14, 7.50283356e+14]))
('reduced_hessian modified eigenvalues', array([ 2.70633507e+03, 5.89545469e+03, 7.35894459e+03,
9.43825372e+13, 2.10719768e+14, 2.82203564e+14,
6.05745307e+14, 7.50283356e+14]))
('NEW_L_MULTIPLIERS', array([ -2549.66419966, -9252.65834305, 90.13898103, -405.83268124,
5292.94612934, -16539.25677955, -42093.79267234, -37004.42909525,
-46902.046693 ]))
('L_CONSTRAINTS', array([ -1.86045097e-16, -1.99922885e-16, -1.99922885e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, -1.11022302e-16, -6.93889390e-18]))
('penalty', 1000.0)
('old_driving_force', -39064.100219593223, 1.9992288480354738e-16)
('sublsum', -224.79106873318324)
(1.0, -39071.088432430741, 0.0060783074775450086)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 3.30405503e-11], NP=0.3694770774733967), CompositionSet(HCP_A3, [ 7.76255106e-12 1.00000000e+00 1.08131162e-11], NP=0.012270322320644386), CompositionSet(BCC_A2, [ 0.1106323 0.79360598 0.09576173], NP=0.6182526002059591)])
('step', array([ 1.13416245e-01, -1.13416245e-01, 3.42389949e-11,
1.89829746e-11, -4.66265259e-11, 2.76436611e-11,
6.76255106e-12, -1.65754812e-11, 9.81311619e-12,
0.00000000e+00, -5.08183071e-02, 6.32757668e-02,
-1.24574597e-02, 0.00000000e+00, -1.94695467e-02,
-4.43527179e-02, 6.38222646e-02]))
('conv_angle', 88.791996001595848)
('Site fractions', array([ 1.00000000e+00, 1.00000000e-12, 3.52389949e-11,
1.99829746e-11, 1.00000000e+00, 2.86436611e-11,
7.76255106e-12, 1.00000000e+00, 1.08131162e-11,
1.00000000e+00, 1.10632295e-01, 7.93605978e-01,
9.57617270e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.36947708, 0.01227032, 0.6182526 ]))
('Chemical potentials', array([-42093.79267234, -37004.42909525, -46902.046693 ]))
('Chem pot progress', array([ -841.8013931 , 47.16273608, 15774.2606587 ]))
('Energy progress', 15.612754670779395)
('Driving force', 143.63744828003109)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 3.30405503e-11], NP=0.3694770774733967), CompositionSet(HCP_A3, [ 7.76255106e-12 1.00000000e+00 1.08131162e-11], NP=0.012270322320644386), CompositionSet(BCC_A2, [ 0.1106323 0.79360598 0.09576173], NP=0.6182526002059591)])
('reduced_hessian eigenvalues', array([ 8.23544487e+02, 1.20459158e+04, 3.16588425e+12,
1.00286412e+13, 1.17525582e+13, 2.21615031e+13,
3.77783071e+13, 7.64717374e+14]))
('NEW_L_MULTIPLIERS', array([ -2437.12956697, -8191.33049586, -1216.42233961, 5323.70712102,
6877.51838864, -22293.83324891, -41318.77028876, -36747.05532223,
-50901.16268153]))
('L_CONSTRAINTS', array([ 3.62389949e-11, 1.80839076e-17, -1.19756601e-17,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-5.28324418e-03, 6.07830748e-03, -7.95063292e-04]))
('penalty', 10000)
('old_driving_force', -38962.328212352317, 0.0060783074775450086)
('sublsum', -74.556632951233013)
(1.0, -37383.486750856755, 0.16483323720965837)
(0.5, -38294.517134767761, 0.07846871921558618)
(0.25, -38695.016565670187, 0.035925379194780449)
(0.125, -38891.251432571225, 0.01481343892843523)
(0.0625, -38974.29522491344, 0.0057117240683620674)
('alpha', 0.0625)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 6.81106539e-11], NP=0.36675081811310534), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0014143228380848992), CompositionSet(BCC_A2, [ 0.11167568 0.79458599 0.09373833], NP=0.6318348590488758)])
('step', array([ -7.06083908e-10, 3.09234927e-11, 6.38921422e-10,
1.92713452e-10, -5.98235598e-10, 4.05522126e-10,
-2.03299241e-09, 5.04306225e-09, -3.01006982e-09,
0.00000000e+00, 1.66940837e-02, 1.56802336e-02,
-3.23743173e-02, 0.00000000e+00, -4.36201498e-02,
-1.73695992e-01, 2.17316141e-01]))
('conv_angle', 89.754355599703672)
('Site fractions', array([ 1.00000000e+00, 2.93271829e-12, 7.51715838e-11,
3.20275653e-11, 1.00000000e+00, 5.39887940e-11,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.11675675e-01, 7.94585992e-01,
9.37383321e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.36675082, 0.00141432, 0.63183486]))
('Chemical potentials', array([-41318.77028876, -36747.05532223, -50901.16268153]))
('Chem pot progress', array([ 775.02238357, 257.37377302, -3999.11598853]))
('Energy progress', -6.524076343783236)
('Driving force', -29.279153563504224)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 6.81106539e-11], NP=0.36675081811310534), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0014143228380848992), CompositionSet(BCC_A2, [ 0.11167568 0.79458599 0.09373833], NP=0.6318348590488758)])
('reduced_hessian eigenvalues', array([ 9.99055902e+01, 1.17515773e+04, 2.37192967e+12,
6.48982516e+12, 7.11577750e+12, 1.04073960e+13,
2.22834916e+13, 3.90039863e+14]))
('NEW_L_MULTIPLIERS', array([ -294.81326309, -999.69622241, -10381.74337513, 47367.5830848 ,
19533.21964367, -64231.76428075, -41318.77330457, -36747.04750047,
-59086.11925125]))
('L_CONSTRAINTS', array([ 3.39740471e-11, -1.94227113e-17, 1.99997788e-12,
0.00000000e+00, 9.71445147e-17, 0.00000000e+00,
-4.93886995e-03, 5.71172407e-03, -7.72854107e-04]))
('penalty', 10000)
('old_driving_force', -38980.62106183717, 0.0057117240683620674)
('sublsum', -530.65836906752952)
(1.0, -33363.747966594987, 0.3932622509189253)
(0.5, -34607.949337638587, 0.35120345321064173)
(0.25, -35696.622080522291, 0.32401985917288478)
(0.125, -37207.021859427936, 0.18852759096475258)
(0.0625, -38122.381254359141, 0.094916798518191459)
(0.03125, -38563.24219160738, 0.049233175479778457)
(0, -38980.62106183717, 0.0057117240683620674)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 6.81106539e-11], NP=0.36675081811310534), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0014143228380848992), CompositionSet(BCC_A2, [ 0.11167568 0.79458599 0.09373833], NP=0.6318348590488758)])
('step', array([ -1.18536688e-10, 7.09711304e-12, 7.74655416e-11,
3.63408241e-11, -6.62629307e-11, 2.99221121e-11,
-3.23084084e-08, 6.58206800e-08, -3.35142714e-08,
0.00000000e+00, 4.19665517e-02, 2.17722398e-01,
-2.59688950e-01, 0.00000000e+00, -3.26964065e-01,
-1.43169092e+00, 1.75865498e+00]))
('conv_angle', 89.864192943204515)
('Site fractions', array([ 1.00000000e+00, 2.93271829e-12, 7.51715838e-11,
3.20275653e-11, 1.00000000e+00, 5.39887940e-11,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.11675675e-01, 7.94585992e-01,
9.37383321e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.36675082, 0.00141432, 0.63183486]))
('Chemical potentials', array([-41318.77330457, -36747.04750047, -59086.11925125]))
('Chem pot progress', array([ -3.01580728e-03, 7.82175799e-03, -8.18495657e+03]))
('Energy progress', 0.0)
('Driving force', 455.48851931880927)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 6.81106539e-11], NP=0.36675081811310534), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0014143228380848992), CompositionSet(BCC_A2, [ 0.11167568 0.79458599 0.09373833], NP=0.6318348590488758)])
('reduced_hessian eigenvalues', array([ -1.30530575e+03, 1.16440383e+04, 2.37192967e+12,
6.48982516e+12, 7.11577750e+12, 1.04073960e+13,
2.22834916e+13, 3.90039863e+14]))
('reduced_hessian modified eigenvalues', array([ 1.30530656e+03, 1.16440500e+04, 2.37192967e+12,
6.48982516e+12, 7.11577750e+12, 1.04073960e+13,
2.22834916e+13, 3.90039863e+14]))
('NEW_L_MULTIPLIERS', array([ -2450.68238202, -8247.02160477, -732.96440782, 3346.23835347,
6493.46033577, -20614.2570833 , -41284.50376702, -37029.50144821,
-47741.36195671]))
('L_CONSTRAINTS', array([ 3.39740471e-11, -1.94227113e-17, 1.99997788e-12,
0.00000000e+00, 9.71445147e-17, 0.00000000e+00,
-4.93886995e-03, 5.71172407e-03, -7.72854107e-04]))
('penalty', 1000.0)
('old_driving_force', -39072.881701195583, 0.0057117240683620674)
('sublsum', -56.379733838262091)
(1.0, -38983.407818461397, 0.10063573711899132)
(0.5, -39038.113682119867, 0.052566260319781288)
(0.25, -39057.671889980338, 0.028456753561690862)
(0.125, -39066.474300070375, 0.016383308093024573)
(0.0625, -39070.654327586744, 0.010341912336286008)
(0.03125, -39072.691868313013, 0.0073200462023154111)
(0, -39072.881701195583, 0.0057117240683620674)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 6.81106539e-11], NP=0.36675081811310534), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0014143228380848992), CompositionSet(BCC_A2, [ 0.11167568 0.79458599 0.09373833], NP=0.6318348590488758)])
('step', array([ -1.47748987e-09, 5.86700430e-11, 1.38484578e-09,
3.02447320e-10, -1.08636444e-09, 7.83917142e-10,
-2.28219759e-09, 4.52899925e-09, -2.24880163e-09,
0.00000000e+00, 2.23445843e-02, -2.85641753e-03,
-1.94881668e-02, 0.00000000e+00, -3.71542223e-02,
-1.02448825e-01, 1.39603047e-01]))
('conv_angle', 89.691822369422084)
('Site fractions', array([ 1.00000000e+00, 2.93271829e-12, 7.51715838e-11,
3.20275653e-11, 1.00000000e+00, 5.39887940e-11,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.11675675e-01, 7.94585992e-01,
9.37383321e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.36675082, 0.00141432, 0.63183486]))
('Chemical potentials', array([-41284.50376702, -37029.50144821, -47741.36195671]))
('Chem pot progress', array([ 34.26953755, -282.45394774, 11344.75729454]))
('Energy progress', 0.0)
('Driving force', -50.491328704898478)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 6.81106539e-11], NP=0.36675081811310534), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0014143228380848992), CompositionSet(BCC_A2, [ 0.11167568 0.79458599 0.09373833], NP=0.6318348590488758)])
('reduced_hessian eigenvalues', array([ 6.80262261e+02, 1.17265133e+04, 2.37192967e+12,
6.48982516e+12, 7.11577750e+12, 1.04073960e+13,
2.22834916e+13, 3.90039863e+14]))
('NEW_L_MULTIPLIERS', array([ -2294.30576105, -7789.48544699, -1568.53676236, 6857.21298078,
7395.91308642, -23957.45557329, -41318.76954603, -36747.05543168,
-51342.04239758]))
('L_CONSTRAINTS', array([ 3.39740471e-11, -1.94227113e-17, 1.99997788e-12,
0.00000000e+00, 9.71445147e-17, 0.00000000e+00,
-4.93886995e-03, 5.71172407e-03, -7.72854107e-04]))
('penalty', 100.0)
('old_driving_force', -39087.728093150123, 0.0057117240683620674)
('sublsum', -87.934487322655841)
(1.0, -39121.165524707249, 0.2125952082591096)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 1.13706996e-09], NP=0.30979949765276626), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13251284 0.81203566 0.0554515 ], NP=0.898148624505503)])
('step', array([ -1.34283457e-09, 5.52805911e-11, 1.25357993e-09,
2.82750871e-10, -9.82468901e-10, 6.99718050e-10,
-4.70664258e-09, 9.67841680e-09, -4.97377416e-09,
0.00000000e+00, 2.08371656e-02, 1.74496654e-02,
-3.82868310e-02, 0.00000000e+00, -5.69513205e-02,
-2.09362445e-01, 2.66313765e-01]))
('conv_angle', 89.753226118320853)
('Site fractions', array([ 9.99999999e-01, 5.82133094e-11, 1.32875152e-09,
3.14778436e-10, 9.99999999e-01, 7.53706844e-10,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32512841e-01, 8.12035658e-01,
5.54515011e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.09799498e-01, 1.00000000e-12, 8.98148625e-01]))
('Chemical potentials', array([-41318.76954603, -36747.05543168, -51342.04239758]))
('Chem pot progress', array([ -34.26577901, 282.44601653, -3600.68044088]))
('Energy progress', -7607.02368141296)
('Driving force', -58.296432739654847)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 1.13706996e-09], NP=0.30979949765276626), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13251284 0.81203566 0.0554515 ], NP=0.898148624505503)])
('reduced_hessian eigenvalues', array([ -9.67206436e+04, 5.02834268e+03, 6.98918725e+03,
1.01230944e+05, 4.29776743e+11, 5.32957505e+11,
1.79823044e+12, 1.67252002e+13]))
('reduced_hessian modified eigenvalues', array([ 5.02834327e+03, 6.98918755e+03, 9.67206437e+04,
1.01230945e+05, 4.29776743e+11, 5.32957505e+11,
1.79823044e+12, 1.67252002e+13]))
('NEW_L_MULTIPLIERS', array([ -2715.53275773, -10151.61396819, 9982.42635653, 3308.53373523,
2108.63293013, -25868.34000771, -41462.9917271 , -28587.82412297,
-45086.93758139]))
('L_CONSTRAINTS', array([ -4.81501595e-17, -3.02918381e-17, 1.99997788e-12,
0.00000000e+00, -3.46944695e-17, 0.00000000e+00,
5.54922409e-03, 2.12595208e-01, -1.01963102e-02]))
('penalty', 10000)
('old_driving_force', -38530.62634281168, 0.2125952082591096)
('sublsum', 1659.9546613883986)
(1.0, -38827.34156846712, 0.099132426531783557)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666647e-01 3.33333329e-01 2.36681275e-08], NP=0.37048944107446524), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.10618146 0.81659673 0.07722181], NP=0.7294126031142817)])
('step', array([ -2.95998098e-08, 1.47614701e-09, 2.81236628e-08,
2.71824840e-09, -1.40640952e-08, 1.13458469e-08,
-5.17482784e-02, 1.08917134e-01, -5.71688553e-02,
0.00000000e+00, -2.63313780e-02, 4.56107372e-03,
2.17703042e-02, 0.00000000e+00, 6.06899434e-02,
-9.99020442e-02, -1.68736021e-01]))
('conv_angle', 98.118844868818982)
('Site fractions', array([ 9.99999969e-01, 1.53436032e-09, 2.94524143e-08,
3.03302684e-09, 9.99999985e-01, 1.20995537e-08,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.06181463e-01, 8.16596732e-01,
7.72218054e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.70489441e-01, 1.00000000e-12, 7.29412603e-01]))
('Chemical potentials', array([-41462.9917271 , -28587.82412297, -45086.93758139]))
('Chem pot progress', array([ -144.22218107, 8159.2313087 , 6255.10481619]))
('Energy progress', 3909.625846892108)
('Driving force', -6202.0061096841091)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666647e-01 3.33333329e-01 2.36681275e-08], NP=0.37048944107446524), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.10618146 0.81659673 0.07722181], NP=0.7294126031142817)])
('reduced_hessian eigenvalues', array([ -9.23790583e+04, 5.01695940e+03, 1.33280398e+04,
9.49748552e+04, 2.72699940e+10, 3.37595632e+10,
2.08334002e+11, 7.35352455e+11]))
('reduced_hessian modified eigenvalues', array([ 5.01695941e+03, 1.33280398e+04, 9.23790583e+04,
9.49748552e+04, 2.72699940e+10, 3.37595632e+10,
2.08334002e+11, 7.35352455e+11]))
('NEW_L_MULTIPLIERS', array([ -2451.68255618, -9340.13439411, 4894.79760282, 1740.37469007,
4674.89689327, -20676.58521926, -42007.00665282, -32683.25255681,
-47752.02411387]))
('L_CONSTRAINTS', array([ -4.85838379e-17, 1.80635781e-17, 1.99997788e-12,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
4.44305081e-03, 9.91324265e-02, -3.67343316e-03]))
('penalty', 10000)
('old_driving_force', -38428.724741396967, 0.099132426531783557)
('sublsum', 386.41382860390536)
(1.0, -38815.903401562886, 0.047638473809457516)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666364e-01 3.33333303e-01 3.32617918e-07], NP=0.35358337560507247), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.120813 0.79309586 0.08609113], NP=0.6932041681585676)])
('step', array([ -4.31616673e-07, 2.57853269e-08, 4.05831347e-07,
1.52857031e-08, -1.30472381e-07, 1.15186678e-07,
-2.34868336e-02, 5.27200691e-02, -2.92332355e-02,
0.00000000e+00, 1.46315384e-02, -2.35008666e-02,
8.86932826e-03, 0.00000000e+00, -1.69060655e-02,
-4.67875438e-02, -3.62084350e-02]))
('conv_angle', 95.40190567060624)
('Site fractions', array([ 9.99999537e-01, 2.73196872e-08, 4.35283761e-07,
1.83187299e-08, 9.99999854e-01, 1.27286232e-07,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.20813001e-01, 7.93095865e-01,
8.60911336e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.53583376e-01, 1.00000000e-12, 6.93204168e-01]))
('Chemical potentials', array([-42007.00665282, -32683.25255681, -47752.02411387]))
('Chem pot progress', array([ -544.01492572, -4095.42843384, -2665.08653248]))
('Energy progress', 1932.2216995285853)
('Driving force', -2729.8172791594552)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666364e-01 3.33333303e-01 3.32617918e-07], NP=0.35358337560507247), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.120813 0.79309586 0.08609113], NP=0.6932041681585676)])
('reduced_hessian eigenvalues', array([ -9.19884372e+04, 5.02186503e+03, 1.07902708e+04,
9.49728110e+04, 1.76083451e+09, 3.15942232e+09,
3.18439788e+10, 3.95676093e+10]))
('reduced_hessian modified eigenvalues', array([ 5.02186503e+03, 1.07902708e+04, 9.19884372e+04,
9.49728110e+04, 1.76083451e+09, 3.15942232e+09,
3.18439788e+10, 3.95676093e+10]))
('NEW_L_MULTIPLIERS', array([ -2499.72596917, -9030.8924874 , 2548.59457162, 876.19338218,
5086.90759277, -19138.71399772, -41717.09302722, -34648.17880806,
-48401.13039232]))
('L_CONSTRAINTS', array([ -2.29966269e-17, -4.27097835e-18, 1.99997788e-12,
0.00000000e+00, 2.77555756e-17, 0.00000000e+00,
-5.29780327e-04, 4.76384738e-02, -3.21149718e-04]))
('penalty', 10000)
('old_driving_force', -38722.352183564006, 0.047638473809457516)
('sublsum', 102.51441480615358)
(1.0, -38903.146411883063, 0.02511302002975746)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66662789e-01 3.33333213e-01 3.99785325e-06], NP=0.349780257218742), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1283836 0.78282131 0.08879509], NP=0.675147235512252)])
('step', array([ -5.39726485e-06, 3.90217029e-07, 5.00704782e-06,
6.83741082e-08, -1.04998446e-06, 9.81610356e-07,
-1.23726779e-02, 2.72318526e-02, -1.48591747e-02,
0.00000000e+00, 7.57059479e-03, -1.02745555e-02,
2.70396069e-03, 0.00000000e+00, -3.80311839e-03,
-2.49274927e-02, -1.80569326e-02]))
('conv_angle', 93.745335482965842)
('Site fractions', array([ 9.99994140e-01, 4.17536716e-07, 5.44233158e-06,
8.66928381e-08, 9.99998804e-01, 1.10889659e-06,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.28383596e-01, 7.82821309e-01,
8.87950943e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.49780257e-01, 1.00000000e-12, 6.75147236e-01]))
('Chemical potentials', array([-41717.09302722, -34648.17880806, -48401.13039232]))
('Chem pot progress', array([ 289.91362559, -1964.92625124, -649.10627845]))
('Energy progress', 802.0014850963344)
('Driving force', -1420.723431928287)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66662789e-01 3.33333213e-01 3.99785325e-06], NP=0.349780257218742), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1283836 0.78282131 0.08879509], NP=0.675147235512252)])
('reduced_hessian eigenvalues', array([ -9.19384180e+04, 5.02373552e+03, 9.38965513e+03,
9.53642799e+04, 1.38591041e+08, 3.65017662e+08,
2.56705422e+09, 6.53326291e+09]))
('reduced_hessian modified eigenvalues', array([ 5.02373552e+03, 9.38965513e+03, 9.19384180e+04,
9.53642799e+04, 1.38591041e+08, 3.65017662e+08,
2.56705422e+09, 6.53326291e+09]))
('NEW_L_MULTIPLIERS', array([ -2535.99137119, -8876.0157988 , 1457.47996335, 490.28465242,
5279.21932762, -18365.51396918, -41511.94673959, -35657.89499618,
-48617.34688612]))
('L_CONSTRAINTS', array([ -1.80087675e-17, -1.83655801e-17, 1.99997788e-12,
0.00000000e+00, -6.93889390e-17, 0.00000000e+00,
-1.36688122e-04, 2.51130200e-02, -4.88391753e-05]))
('penalty', 10000)
('old_driving_force', -38877.771907798575, 0.02511302002975746)
('sublsum', 29.055787244525199)
(1.0, -38972.635777225056, 0.014392052253803023)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66626983e-01 3.33334233e-01 3.87843728e-05], NP=0.3482536887309573), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13183316 0.77812699 0.09003985], NP=0.6660958750710576)])
('step', array([ -5.38119550e-05, 4.80035438e-06, 4.90116006e-05,
2.05767981e-07, -6.54212542e-06, 6.33635744e-06,
-6.75948112e-03, 1.47859466e-02, -8.02646545e-03,
0.00000000e+00, 3.44956605e-03, -4.69432275e-03,
1.24475670e-03, 0.00000000e+00, -1.52656849e-03,
-1.43495638e-02, -9.05136044e-03]))
('conv_angle', 92.543641197785391)
('Site fractions', array([ 9.99940328e-01, 5.21789110e-06, 5.44539322e-05,
2.92460819e-07, 9.99992262e-01, 7.44525403e-06,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.31833162e-01, 7.78126987e-01,
9.00398510e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.48253689e-01, 1.00000000e-12, 6.66095875e-01]))
('Chemical potentials', array([-41511.94673959, -35657.89499618, -48617.34688612]))
('Chem pot progress', array([ 205.14628763, -1009.71618812, -216.21649379]))
('Energy progress', 389.85892916677403)
('Driving force', -808.22251682234491)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66626983e-01 3.33334233e-01 3.87843728e-05], NP=0.3482536887309573), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13183316 0.77812699 0.09003985], NP=0.6660958750710576)])
('reduced_hessian eigenvalues', array([ -9.19428505e+04, 5.02451224e+03, 8.67404106e+03,
9.56527514e+04, 1.37086149e+07, 5.46371226e+07,
2.05426363e+08, 1.90809801e+09]))
('reduced_hessian modified eigenvalues', array([ 5.02451224e+03, 8.67404106e+03, 9.19428505e+04,
9.56527514e+04, 1.37086149e+07, 5.46371226e+07,
2.05426363e+08, 1.90809801e+09]))
('NEW_L_MULTIPLIERS', array([ -2558.8388769 , -8814.40611273, 924.54033695, 307.02913633,
5365.17316962, -17961.63991418, -41413.18080131, -36168.25207292,
-48707.41938033]))
('L_CONSTRAINTS', array([ -1.96850457e-17, 2.92582121e-17, 1.99997788e-12,
0.00000000e+00, 4.16333634e-17, 0.00000000e+00,
-3.11686053e-05, 1.43920523e-02, -1.13198455e-05]))
('penalty', 10000)
('old_driving_force', -38965.288632717609, 0.014392052253803023)
('sublsum', 5.0167354224672343)
(1.0, -39017.491874347623, 0.0091304212979388399)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66352244e-01 3.33355537e-01 2.92219157e-04], NP=0.3482053468973018), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13309727 0.77627812 0.09062461], NP=0.6609154976099105)])
('step', array([ -4.12291896e-04, 4.66367109e-05, 3.65655185e-04,
3.67129866e-07, -2.93611126e-05, 2.89939828e-05,
-3.95495243e-03, 8.65707107e-03, -4.70211865e-03,
0.00000000e+00, 1.26411074e-03, -1.84886520e-03,
5.84754464e-04, 0.00000000e+00, -4.83418337e-05,
-9.12084451e-03, -5.18037746e-03]))
('conv_angle', 90.988000745423534)
('Site fractions', array([ 9.99528036e-01, 5.18546020e-05, 4.20109117e-04,
6.59590685e-07, 9.99962901e-01, 3.64392368e-05,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.33097273e-01, 7.76278122e-01,
9.06246055e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.48205347e-01, 1.00000000e-12, 6.60915498e-01]))
('Chemical potentials', array([-41413.18080131, -36168.25207292, -48707.41938033]))
('Chem pot progress', array([ 98.76593829, -510.35707674, -90.07249421]))
('Energy progress', 189.6228184706997)
('Driving force', -509.91255079567054)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66352244e-01 3.33355537e-01 2.92219157e-04], NP=0.3482053468973018), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13309727 0.77627812 0.09062461], NP=0.6609154976099105)])
('reduced_hessian eigenvalues', array([ -9.19624516e+04, 5.02484846e+03, 8.26593154e+03,
9.58106269e+04, 1.76281470e+06, 1.12032677e+07,
2.08247342e+07, 8.41233524e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02484846e+03, 8.26593154e+03, 9.19624516e+04,
9.58106269e+04, 1.76281470e+06, 1.12032677e+07,
2.08247342e+07, 8.41233524e+08]))
('NEW_L_MULTIPLIERS', array([ -2576.78330838, -8849.92839392, 670.70323281, 221.14170732,
5379.82194401, -17698.95162435, -41437.4188461 , -36404.2048037 ,
-48752.28343791]))
('L_CONSTRAINTS', array([ 4.82469967e-18, -1.78893358e-18, 1.99997788e-12,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
-6.53528939e-06, 9.13042130e-03, -3.04150034e-06]))
('penalty', 10000)
('old_driving_force', -39015.337821365378, 0.0091304212979388399)
('sublsum', -15.250223654759971)
(1.0, -39053.627551499761, 0.0066150852463313647)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6648035 0.3335573 0.0016392], NP=0.3510628444854667), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13212128 0.77722564 0.09065308], NP=0.6555567417386468)])
('step', array([ -2.32327959e-03, 3.45920767e-04, 1.97735883e-03,
3.28327710e-07, -8.65391016e-05, 8.62107739e-05,
-2.64063799e-03, 5.79911758e-03, -3.15847959e-03,
0.00000000e+00, -9.75991697e-04, 9.47520090e-04,
2.84716075e-05, 0.00000000e+00, 2.85749759e-03,
-6.61958623e-03, -5.35875587e-03]))
('conv_angle', 84.695952231643602)
('Site fractions', array([ 9.97204757e-01, 3.97775369e-04, 2.39746794e-03,
9.87918394e-07, 9.99876362e-01, 1.22650011e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32121281e-01, 7.77225642e-01,
9.06530771e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.51062844e-01, 1.00000000e-12, 6.55556742e-01]))
('Chemical potentials', array([-41437.4188461 , -36404.2048037 , -48752.28343791]))
('Chem pot progress', array([ -24.2380448 , -235.95273078, -44.86405758]))
('Energy progress', 77.85056398167944)
('Driving force', -364.10539845003223)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6648035 0.3335573 0.0016392], NP=0.3510628444854667), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13212128 0.77722564 0.09065308], NP=0.6555567417386468)])
('reduced_hessian eigenvalues', array([ -9.20312569e+04, 5.02489510e+03, 7.95276655e+03,
9.58479199e+04, 3.08816869e+05, 2.73288515e+06,
3.39615182e+06, 5.64591894e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02489510e+03, 7.95276655e+03, 9.20312569e+04,
9.58479199e+04, 3.08816869e+05, 2.73288515e+06,
3.39615182e+06, 5.64591894e+08]))
('NEW_L_MULTIPLIERS', array([ -2611.05893048, -9044.73868046, 576.25017203, 189.49104835,
5306.94503635, -17398.02399029, -41628.9154641 , -36459.81283768,
-48818.23077374]))
('L_CONSTRAINTS', array([ 2.55871713e-17, -5.27193306e-17, 1.99997788e-12,
0.00000000e+00, 6.93889390e-17, 0.00000000e+00,
8.04570089e-07, 6.61508525e-03, 3.69640869e-06]))
('penalty', 10000)
('old_driving_force', -39053.259301773644, 0.0066150852463313647)
('sublsum', -47.327954690024228)
(1.0, -39097.793652684915, 0.0056462103619068227)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.65872253 0.33476267 0.0065148 ], NP=0.36059909793537154), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12781459 0.78272584 0.08945956], NP=0.6450931694871239)])
('step', array([ -9.12152565e-03, 1.88283843e-03, 7.23868722e-03,
1.54392650e-07, -1.49580095e-04, 1.49425703e-04,
-2.24741852e-03, 4.93745710e-03, -2.69003858e-03,
0.00000000e+00, -4.30668682e-03, 5.50019935e-03,
-1.19351254e-03, 0.00000000e+00, 9.53625345e-03,
-5.69226742e-03, -1.04635723e-02]))
('conv_angle', 76.240013897032114)
('Site fractions', array([ 9.88083231e-01, 2.28061380e-03, 9.63615517e-03,
1.14231104e-06, 9.99726782e-01, 2.72075713e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.27814594e-01, 7.82725841e-01,
8.94595646e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.60599098e-01, 1.00000000e-12, 6.45093169e-01]))
('Chemical potentials', array([-41628.9154641 , -36459.81283768, -48818.23077374]))
('Chem pot progress', array([-191.496618 , -55.60803398, -65.94733583]))
('Energy progress', -2.3221019645789056)
('Driving force', -299.54409865901835)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.65872253 0.33476267 0.0065148 ], NP=0.36059909793537154), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12781459 0.78272584 0.08945956], NP=0.6450931694871239)])
('reduced_hessian eigenvalues', array([ -9.22154064e+04, 5.02469376e+03, 7.60211573e+03,
7.91393690e+04, 9.60706898e+04, 4.98435575e+05,
1.56204362e+06, 5.00401634e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02469376e+03, 7.60211573e+03, 7.91393690e+04,
9.22154064e+04, 9.60706898e+04, 4.98435575e+05,
1.56204362e+06, 5.00401634e+08]))
('NEW_L_MULTIPLIERS', array([ -2685.5488629 , -9398.0481963 , 554.90041406, 182.68274769,
5140.35548013, -16937.0746372 , -41919.98884745, -36418.11064924,
-49017.62024149]))
('L_CONSTRAINTS', array([ -4.51028104e-17, 6.72205347e-18, 1.99997788e-12,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
-1.29263009e-05, 5.64621036e-03, 5.89833625e-05]))
('penalty', 10000)
('old_driving_force', -39098.021113854229, 0.0056462103619068227)
('sublsum', -73.098804940126328)
(1.0, -39147.863866117601, 0.0053926341556642665)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.64350934 0.33940464 0.01708602], NP=0.3787610455801849), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12143106 0.79274704 0.0858219 ], NP=0.62673128940203)])
('step', array([ -2.28198784e-02, 7.03423849e-03, 1.57856399e-02,
1.61438628e-07, -1.42555781e-04, 1.42394342e-04,
-2.32157269e-03, 5.08405474e-03, -2.76248205e-03,
0.00000000e+00, -6.38353680e-03, 1.00212021e-02,
-3.63766531e-03, 0.00000000e+00, 1.81619476e-02,
-5.49233498e-03, -1.83618801e-02]))
('conv_angle', 72.130978426030097)
('Site fractions', array([ 9.65263353e-01, 9.31485229e-03, 2.54217951e-02,
1.30374967e-06, 9.99584226e-01, 4.14470055e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.21431058e-01, 7.92747043e-01,
8.58218992e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.78761046e-01, 1.00000000e-12, 6.26731289e-01]))
('Chemical potentials', array([-41919.98884745, -36418.11064924, -49017.62024149]))
('Chem pot progress', array([-291.07338335, 41.70218844, -199.38946775]))
('Energy progress', -45.198775654804194)
('Driving force', -271.28671930385462)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.64350934 0.33940464 0.01708602], NP=0.3787610455801849), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12143106 0.79274704 0.0858219 ], NP=0.62673128940203)])
('reduced_hessian eigenvalues', array([ -9.25298631e+04, 5.02452364e+03, 7.00386490e+03,
3.31684003e+04, 9.40422678e+04, 1.34010264e+05,
1.07311133e+06, 4.59116057e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02452364e+03, 7.00386490e+03, 3.31684003e+04,
9.25298631e+04, 9.40422678e+04, 1.34010264e+05,
1.07311133e+06, 4.59116057e+08]))
('NEW_L_MULTIPLIERS', array([ -2780.77806559, -9722.20999121, 518.32441863, 171.1236019 ,
4958.97583735, -16398.94670698, -42073.79997778, -36405.47309266,
-49313.00859771]))
('L_CONSTRAINTS', array([ 4.85722573e-17, 1.53414607e-17, 1.99997788e-12,
0.00000000e+00, 4.16333634e-17, 0.00000000e+00,
-1.59087577e-04, 5.39263416e-03, 2.58788404e-04]))
('penalty', 10000)
('old_driving_force', -39147.880042195437, 0.0053926341556642665)
('sublsum', -55.530535120664084)
(1.0, -39183.498887682239, 0.0051842483568713682)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.62250251 0.34988943 0.02760807], NP=0.39881700461855435), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.11774123 0.80096108 0.08129769], NP=0.606324582839181)])
('step', array([ -3.15103523e-02, 1.57820313e-02, 1.57283210e-02,
2.12675033e-07, -1.09709270e-04, 1.09496595e-04,
-2.27905467e-03, 4.98014025e-03, -2.70108558e-03,
0.00000000e+00, -3.68983049e-03, 8.21404026e-03,
-4.52420976e-03, 0.00000000e+00, 2.00559590e-02,
-5.14158746e-03, -2.04067066e-02]))
('conv_angle', 69.737572982570583)
('Site fractions', array([ 9.33753000e-01, 2.50968836e-02, 4.11501161e-02,
1.51642471e-06, 9.99474517e-01, 5.23966650e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.17741227e-01, 8.00961083e-01,
8.12976895e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.98817005e-01, 1.00000000e-12, 6.06324583e-01]))
('Chemical potentials', array([-42073.79997778, -36405.47309266, -49313.00859771]))
('Chem pot progress', array([-153.81113033, 12.63755659, -295.38835622]))
('Energy progress', -22.596452534249693)
('Driving force', -248.04523301377776)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.62250251 0.34988943 0.02760807], NP=0.39881700461855435), CompositionSet(BCC_A2, [ 0.11774123 0.80096108 0.08129769], NP=0.606324582839181)])
('reduced_hessian eigenvalues', array([ 6.19059790e+03, 2.14032863e+04, 5.64538839e+04,
8.87372278e+05, 4.12644107e+08]))
('NEW_L_MULTIPLIERS', array([ -2818.32305846, -9795.40371351, 4920.87421777, -15706.05938974,
-41923.10605067, -36899.49576714, -49474.19464782]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 4.33680869e-18, -2.77555756e-17,
0.00000000e+00, -3.46014846e-04, 5.18424836e-03,
3.03353948e-04]))
('penalty', 10000)
('old_driving_force', -39180.836712712196, 0.0051842483558713903)
('sublsum', -18.805292430249455)
(1.0, -39246.316337527598, 0.00018612869196077408)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60827806 0.36093445 0.03078749], NP=0.41034795870831203), CompositionSet(BCC_A2, [ 0.11906719 0.80051628 0.08041653], NP=0.589652041291688)])
('step', array([ -2.13367904e-02, 1.66283607e-02, 4.70842966e-03,
2.29701935e-07, -1.21645145e-04, 1.21415443e-04,
1.32596508e-03, -4.44801873e-04, -8.81163203e-04,
0.00000000e+00, 1.15309541e-02, -1.66725415e-02]))
('conv_angle', 62.97861330933025)
('Site fractions', array([ 9.12416210e-01, 4.17252443e-02, 4.58585457e-02,
1.74612664e-06, 9.99352872e-01, 6.45382093e-04,
1.19067192e-01, 8.00516281e-01, 8.04165263e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.41034796, 0.58965204]))
('Chemical potentials', array([-41923.10605067, -36899.49576714, -49474.19464782]))
('Chem pot progress', array([ 150.69392711, -494.02267448, -161.18605011]))
('Energy progress', 181.2215873781024)
('Driving force', 11.494079344680358)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60827806 0.36093445 0.03078749], NP=0.41034795870831203), CompositionSet(BCC_A2, [ 0.11906719 0.80051628 0.08041653], NP=0.589652041291688)])
('reduced_hessian eigenvalues', array([ 5.47184051e+03, 1.67387230e+04, 4.22892425e+04,
7.38793380e+05, 3.67612184e+08]))
('NEW_L_MULTIPLIERS', array([ -2839.01365443, -9822.02902886, 4888.51689333, -15621.72442227,
-41878.3444314 , -36907.35717767, -49467.94968422]))
('L_CONSTRAINTS', array([ 6.24500451e-17, -9.92044988e-17, 1.38777878e-16,
0.00000000e+00, -1.86128692e-04, 1.34775659e-04,
5.13530330e-05]))
('penalty', 10000)
('old_driving_force', -39246.307267276985, 0.00018612869196077408)
('sublsum', -1.5919871379260393)
(1.0, -39250.535673824517, 1.636583116287893e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60392089 0.3651139 0.03096521], NP=0.4136364288827309), CompositionSet(BCC_A2, [ 0.11968676 0.79983071 0.08048254], NP=0.5863635711172692)])
('step', array([ -6.53576732e-03, 6.29425895e-03, 2.41508373e-04,
3.60992048e-08, -5.01798107e-05, 5.01437115e-05,
6.19564730e-04, -6.85575638e-04, 6.60109085e-05,
0.00000000e+00, 3.28847017e-03, -3.28847017e-03]))
('conv_angle', 54.489273561083778)
('Site fractions', array([ 9.05880443e-01, 4.80195033e-02, 4.61000541e-02,
1.78222585e-06, 9.99302692e-01, 6.95525805e-04,
1.19686757e-01, 7.99830706e-01, 8.04825372e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.41363643, 0.58636357]))
('Chemical potentials', array([-41878.3444314 , -36907.35717767, -49467.94968422]))
('Chem pot progress', array([ 44.76161928, -7.86141053, 6.2449636 ]))
('Energy progress', -1.0366279931549798)
('Driving force', 0.84565880474838195)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60392089 0.3651139 0.03096521], NP=0.4136364288827309), CompositionSet(BCC_A2, [ 0.11968676 0.79983071 0.08048254], NP=0.5863635711172692)])
('reduced_hessian eigenvalues', array([ 5.29949670e+03, 1.54497450e+04, 4.03209281e+04,
6.90458333e+05, 3.62746870e+08]))
('NEW_L_MULTIPLIERS', array([ -2840.48691612, -9823.62239165, 4886.73986895, -15615.09607726,
-41874.58507353, -36907.97970428, -49467.62554681]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 8.16404236e-17, -4.16333634e-17,
0.00000000e+00, -1.63658312e-05, 1.59984786e-05,
3.67352517e-07]))
('penalty', 10000)
('old_driving_force', -39250.535602459102, 1.636583116287893e-05)
('sublsum', -0.0088347151672103531)
(1.0, -39250.865389983359, 9.8052024388728398e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60358232 0.36544539 0.03097229], NP=0.4138703223536182), CompositionSet(BCC_A2, [ 0.11976035 0.79974298 0.08049667], NP=0.5861296776463819)])
('step', array([ -5.07851005e-04, 4.99642295e-04, 8.20870980e-06,
1.59045646e-09, -4.80773908e-06, 4.80614862e-06,
7.35894862e-05, -8.77243111e-05, 1.41348248e-05,
0.00000000e+00, 2.33893471e-04, -2.33893471e-04]))
('conv_angle', 53.14404444168224)
('Site fractions', array([ 9.05372592e-01, 4.85191456e-02, 4.61082628e-02,
1.78381630e-06, 9.99297884e-01, 7.00331953e-04,
1.19760346e-01, 7.99742982e-01, 8.04966720e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.41387032, 0.58612968]))
('Chemical potentials', array([-41874.58507353, -36907.97970428, -49467.62554681]))
('Chem pot progress', array([ 3.75935786, -0.62252661, 0.32413741]))
('Energy progress', -0.0806012243629084)
('Driving force', 0.0048219657546724193)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60358232 0.36544539 0.03097229], NP=0.4138703223536182), CompositionSet(BCC_A2, [ 0.11976035 0.79974298 0.08049667], NP=0.5861296776463819)])
('reduced_hessian eigenvalues', array([ 5.28552861e+03, 1.53539129e+04, 4.01983636e+04,
6.86070888e+05, 3.62605326e+08]))
('NEW_L_MULTIPLIERS', array([ -2840.49502665, -9823.62857321, 4886.73243016, -15615.06500673,
-41874.56327134, -36907.98319645, -49467.62537721]))
('L_CONSTRAINTS', array([ -2.08166817e-17, -7.99057001e-17, -1.24900090e-16,
0.00000000e+00, -9.64006658e-08, 9.80520244e-08,
-1.65135856e-09]))
('penalty', 10000)
('old_driving_force', -39250.865389980914, 9.8052024388728398e-08)
('sublsum', -2.3262333396610815e-07)
(1.0, -39250.867351089219, 2.4255042418985795e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60358062 0.36544709 0.0309723 ], NP=0.41387139454168737), CompositionSet(BCC_A2, [ 0.11976083 0.79974241 0.08049676], NP=0.5861286054583127)])
('step', array([ -2.55664338e-06, 2.55526783e-06, 1.37554972e-09,
7.59200862e-12, -2.98082629e-08, 2.98006710e-08,
4.82937523e-07, -5.68686597e-07, 8.57490743e-08,
0.00000000e+00, 1.07218807e-06, -1.07218807e-06]))
('conv_angle', 51.991409029064762)
('Site fractions', array([ 9.05370035e-01, 4.85217008e-02, 4.61082642e-02,
1.78382389e-06, 9.99297854e-01, 7.00361754e-04,
1.19760829e-01, 7.99742413e-01, 8.04967578e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.41387139, 0.58612861]))
('Chemical potentials', array([-41874.56327134, -36907.98319645, -49467.62537721]))
('Chem pot progress', array([ 0.02180219, -0.00349218, 0.0001696 ]))
('Energy progress', -0.0004996257630409673)
('Driving force', 1.2679083738476038e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60358062 0.36544709 0.0309723 ], NP=0.41387139454168737), CompositionSet(BCC_A2, [ 0.11976083 0.79974241 0.08049676], NP=0.5861286054583127)])
('reduced_hessian eigenvalues', array([ 5.28515483e+03, 1.53507006e+04, 4.01991148e+04,
6.86041133e+05, 3.62604611e+08]))
('NEW_L_MULTIPLIERS', array([ -2840.49502878, -9823.62854643, 4886.73243309, -15615.06500847,
-41874.56327076, -36907.98319659, -49467.62537685]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -1.38777878e-17, 1.38777878e-17,
0.00000000e+00, -2.34523512e-12, 2.42550424e-12,
-8.03107580e-14]))
('penalty', 10000)
('old_driving_force', -39250.867351089219, 2.4255042418985795e-12)
('sublsum', -2.5702939176970167e-15)
(1.0, -39250.867351137713, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60358062 0.36544709 0.0309723 ], NP=0.4138713942187606), CompositionSet(BCC_A2, [ 0.11976083 0.79974241 0.08049676], NP=0.5861286057812395)])
('step', array([ 2.01933993e-10, -1.75060232e-10, -2.68737472e-11,
1.93979822e-14, -1.54928686e-11, 1.54734845e-11,
1.75498040e-10, -1.57358193e-10, -1.81398618e-11,
0.00000000e+00, -3.22926719e-10, 3.22926763e-10]))
('conv_angle', 83.213771956657723)
('Site fractions', array([ 9.05370035e-01, 4.85217007e-02, 4.61082642e-02,
1.78382391e-06, 9.99297854e-01, 7.00361769e-04,
1.19760830e-01, 7.99742413e-01, 8.04967577e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.41387139, 0.58612861]))
('Chemical potentials', array([-41874.56327076, -36907.98319659, -49467.62537685]))
('Chem pot progress', array([ 5.80330379e-07, -1.30326953e-07, 3.65012966e-07]))
('Energy progress', -1.2652890291064978e-08)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.11976083 0.79974241 0.08049676], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.11976083 0.79974248 0.08049669], NP=1.0), -1.964508555829525e-10), (CompositionSet(BCC_A2, [ 0.11976079 0.79974249 0.08049672], NP=1.0), -1.0186340659856796e-10), (CompositionSet(BCC_A2, [ 0.11976084 0.79974244 0.08049672], NP=1.0), -9.458744898438454e-11), (CompositionSet(BCC_A2, [ 0.11976076 0.79974249 0.08049674], NP=1.0), -1.2369127944111824e-10)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.60358064 0.36544706 0.03097229], NP=1.0), -2.1827872842550278e-11)], 'HCP_A3': []})
No progress
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.3468960614910644), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.006268546964712379), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.6468353915442233)])
('reduced_hessian eigenvalues', array([ -7.23643061e+01, 5.39728708e+03, 7.53952734e+03,
1.05122503e+13, 3.15361031e+13, 1.90024055e+14,
5.60593200e+14, 6.99743543e+14]))
('reduced_hessian modified eigenvalues', array([ 7.23696006e+01, 5.39741212e+03, 7.53958050e+03,
1.05122503e+13, 3.15361031e+13, 1.90024055e+14,
5.60593200e+14, 6.99743543e+14]))
('NEW_L_MULTIPLIERS', array([ 834.49665846, 3174.30088069, -15358.43883598, 70083.90081196,
26925.10927454, -87153.37123421, -41122.47327046, -37053.59712965,
-61343.29289353]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.99922887e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 1.38777878e-17]))
('penalty', 10000)
('old_driving_force', -39156.385056010426, 1.9992288680364425e-16)
('sublsum', -1076.1161006994021)
(1.0, -30918.869785646275, 0.38000000000142686)
(0.5, -32931.789701494301, 0.42557940555907769)
(0.25, -34428.152364157118, 0.36365203454552653)
(0.125, -36236.884095531808, 0.28475389297407383)
(0.0625, -37832.603288799844, 0.1328133552106634)
(0.03125, -38549.699173876426, 0.061665074674844944)
(0, -39156.385056010426, 1.9992288480354738e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.3468960614910644), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.006268546964712379), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.6468353915442233)])
('step', array([ -2.91826865e-02, 2.91826866e-02, -1.51821993e-11,
-7.31714834e-12, 1.99777600e-11, -1.26604811e-11,
-1.07804843e-08, 2.19888979e-08, -1.12084135e-08,
0.00000000e+00, -2.02551462e-01, 6.37160889e-01,
-4.34609427e-01, 0.00000000e+00, -4.75256594e-01,
-2.12244135e+00, 2.59769794e+00]))
('conv_angle', 89.854617835656839)
('Site fractions', array([ 8.88888889e-01, 1.11111111e-01, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.61450602e-01, 7.30330211e-01,
1.08219187e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.34689606, 0.00626855, 0.64683539]))
('Chemical potentials', array([-41122.47327046, -37053.59712965, -61343.29289353]))
('Chem pot progress', array([ 264.93731807, -306.54039184, -10727.39866327]))
('Energy progress', 0.0)
('Driving force', 858.84238076379552)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.3468960614910644), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.006268546964712379), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.6468353915442233)])
('reduced_hessian eigenvalues', array([ -2.08861520e+03, 5.49108926e+03, 7.18425249e+03,
1.05122503e+13, 3.15361031e+13, 1.90024055e+14,
5.60593200e+14, 6.99743543e+14]))
('reduced_hessian modified eigenvalues', array([ 2.08861417e+03, 5.49092332e+03, 7.18432283e+03,
1.05122503e+13, 3.15361031e+13, 1.90024055e+14,
5.60593200e+14, 6.99743543e+14]))
('NEW_L_MULTIPLIERS', array([ -2328.26481324, -8443.83547848, -475.89983759, 2071.96825702,
6190.34772941, -19422.05723371, -42127.14345665, -36996.67474252,
-46924.78640827]))
('L_CONSTRAINTS', array([ -1.86045097e-16, -1.99922885e-16, -1.99922885e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 1.38777878e-17]))
('penalty', 1000.0)
('old_driving_force', -39156.385056010433, 1.9992288480354738e-16)
('sublsum', -227.07184536866964)
(1.0, -39090.436048064723, 0.070039369793120643)
(0.5, -39199.324375388045, 0.029782996800293282)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 6.31454828e-01 3.68545172e-01 1.73400495e-11], NP=0.3419530329604815), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13527636 0.76311424 0.1016094 ], NP=0.6863426592596829)])
('step', array([ 1.16586705e-01, -1.16586706e-01, 3.49304040e-11,
1.94088446e-11, -4.75882206e-11, 2.81794892e-11,
-3.21582610e-10, 6.30837796e-10, -3.09255019e-10,
0.00000000e+00, -5.23484850e-02, 6.55680597e-02,
-1.32195747e-02, 0.00000000e+00, -9.88605706e-03,
-6.91284784e-02, 7.90145354e-02]))
('conv_angle', 88.696202964359841)
('Site fractions', array([ 9.47182242e-01, 5.28177583e-02, 1.84652020e-11,
1.07044223e-11, 1.00000000e+00, 1.50897446e-11,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.35276360e-01, 7.63114241e-01,
1.01609399e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.41953033e-01, 1.00000000e-12, 6.86342659e-01]))
('Chemical potentials', array([-42127.14345665, -36996.67474252, -46924.78640827]))
('Chem pot progress', array([ -1004.67018619, 56.92238713, 14418.50648526]))
('Energy progress', -1112.1727421173491)
('Driving force', 51.493183733160549)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.31454828e-01 3.68545172e-01 1.73400495e-11], NP=0.3419530329604815), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13527636 0.76311424 0.1016094 ], NP=0.6863426592596829)])
('reduced_hessian eigenvalues', array([ -9.41892277e+04, 5.02060000e+03, 6.95074924e+03,
1.35306454e+04, 9.82966550e+04, 2.07135899e+13,
5.36966196e+13, 6.62968953e+13]))
('reduced_hessian modified eigenvalues', array([ 5.02059553e+03, 6.95074628e+03, 1.35306411e+04,
9.41892261e+04, 9.82966520e+04, 2.07135899e+13,
5.36966196e+13, 6.62968953e+13]))
('NEW_L_MULTIPLIERS', array([ -2600.64999373, -8634.27143958, 1762.96807603, 574.82245247,
5287.55437987, -18576.05455869, -41758.03726303, -35489.71432767,
-47652.67555733]))
('L_CONSTRAINTS', array([ -9.67138438e-17, -7.36894477e-17, 1.99997788e-12,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-1.22616994e-03, 2.97829968e-02, -2.61134637e-04]))
('penalty', 10000)
('old_driving_force', -38962.510950322394, 0.029782996800293282)
('sublsum', 36.921165591007792)
(1.0, -39081.454723398099, 0.017328740884786975)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.40526345e-01 3.59473655e-01 3.78585453e-10], NP=0.3481834540890748), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13018213 0.76529591 0.10452196], NP=0.669239120443225)])
('step', array([ 1.36072756e-02, -1.36072760e-02, 4.08367715e-10,
1.23105659e-10, -3.90106370e-10, 2.67000781e-10,
-7.82935452e-03, 1.74694554e-02, -9.64010086e-03,
0.00000000e+00, -5.09423075e-03, 2.18166981e-03,
2.91256094e-03, 0.00000000e+00, 6.23042113e-03,
-1.74225745e-02, -1.71035388e-02]))
('conv_angle', 91.367315142570192)
('Site fractions', array([ 9.60789517e-01, 3.92104823e-02, 4.26832917e-10,
1.33810081e-10, 1.00000000e+00, 2.82090525e-10,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.30182129e-01, 7.65295911e-01,
1.04521960e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.48183454e-01, 1.00000000e-12, 6.69239120e-01]))
('Chemical potentials', array([-41758.03726303, -35489.71432767, -47652.67555733]))
('Chem pot progress', array([ 369.10619362, 1506.96041485, -727.88914906]))
('Energy progress', 393.26429677127453)
('Driving force', -972.37504697746772)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.40526345e-01 3.59473655e-01 3.78585453e-10], NP=0.3481834540890748), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13018213 0.76529591 0.10452196], NP=0.669239120443225)])
('reduced_hessian eigenvalues', array([ -9.30223930e+04, 5.02247130e+03, 7.59180830e+03,
1.86714033e+04, 9.67369469e+04, 1.24532979e+12,
2.35981638e+12, 4.82414221e+12]))
('reduced_hessian modified eigenvalues', array([ 5.02247122e+03, 7.59180815e+03, 1.86714038e+04,
9.30223930e+04, 9.67369467e+04, 1.24532979e+12,
2.35981638e+12, 4.82414221e+12]))
('NEW_L_MULTIPLIERS', array([ -2550.94020684, -8572.03205959, 1108.46833788, 367.83399268,
5399.02797655, -18033.90663111, -41637.42118127, -36100.15587292,
-47774.7732074 ]))
('L_CONSTRAINTS', array([ -6.61664326e-18, -4.79938562e-17, 1.99997788e-12,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
1.43648745e-04, 1.73287409e-02, -4.98150968e-05]))
('penalty', 10000)
('old_driving_force', -39070.899948688806, 0.017328740884786975)
('sublsum', 13.571399667633399)
(1.0, -39130.136634648414, 0.010918077263555426)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39259830e-01 3.60740163e-01 7.05536498e-09], NP=0.348800842826434), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13142441 0.76286407 0.10571152], NP=0.6620990890753737)])
('step', array([ -1.89977248e-03, 1.89976452e-03, 7.95932044e-09,
1.19295850e-09, -5.30465617e-09, 4.11169772e-09,
-4.56015019e-03, 1.01264047e-02, -5.56625448e-03,
0.00000000e+00, 1.24227856e-03, -2.43184269e-03,
1.18956412e-03, 0.00000000e+00, 6.17388737e-04,
-1.08999319e-02, -7.14003137e-03]))
('conv_angle', 91.219133111528251)
('Site fractions', array([ 9.58889745e-01, 4.11102468e-02, 8.38615336e-09,
1.32676858e-09, 9.99999994e-01, 4.39378824e-09,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.31424408e-01, 7.62864068e-01,
1.05711524e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.48800843e-01, 1.00000000e-12, 6.62099089e-01]))
('Chemical potentials', array([-41637.42118127, -36100.15587292, -47774.7732074 ]))
('Chem pot progress', array([ 120.61608175, -610.44154526, -122.09765007]))
('Energy progress', 242.45800315660745)
('Driving force', -605.56752898294508)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39259830e-01 3.60740163e-01 7.05536498e-09], NP=0.348800842826434), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13142441 0.76286407 0.10571152], NP=0.6620990890753737)])
('reduced_hessian eigenvalues', array([ -9.30325116e+04, 5.02296570e+03, 7.35858426e+03,
1.77285638e+04, 9.69402699e+04, 8.51671279e+10,
1.20540787e+11, 4.56001388e+11]))
('reduced_hessian modified eigenvalues', array([ 5.02296571e+03, 7.35858427e+03, 1.77285639e+04,
9.30325116e+04, 9.69402699e+04, 8.51671279e+10,
1.20540787e+11, 4.56001388e+11]))
('NEW_L_MULTIPLIERS', array([ -2530.00926665, -8523.9365046 , 781.55993542, 257.10739194,
5451.35526594, -17806.45314038, -41562.71328484, -36411.76256232,
-47817.35360516]))
('L_CONSTRAINTS', array([ 3.48540906e-17, 1.83051066e-17, 1.99997788e-12,
0.00000000e+00, 2.77555756e-17, 0.00000000e+00,
-9.65183974e-06, 1.09180773e-02, -8.49352101e-06]))
('penalty', 10000)
('old_driving_force', -39126.734129325996, 0.010918077263555426)
('sublsum', 4.8818347637666246)
(1.0, -39156.812104128046, 0.0076920992193160176)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39609448e-01 3.60390440e-01 1.11648835e-07], NP=0.3481878533782942), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13236246 0.76149834 0.10613919], NP=0.6595004824852128)])
('step', array([ 5.24422181e-04, -5.24553112e-04, 1.30931053e-07,
8.81957092e-09, -6.07378755e-08, 5.19183046e-08,
-2.85970333e-03, 6.38962411e-03, -3.52992078e-03,
0.00000000e+00, 9.38054068e-04, -1.36572375e-03,
4.27669682e-04, 0.00000000e+00, -6.12989448e-04,
-7.68833586e-03, -2.59860659e-03]))
('conv_angle', 90.846955603227471)
('Site fractions', array([ 9.59414167e-01, 4.05856937e-02, 1.39317206e-07,
1.01463395e-08, 9.99999934e-01, 5.63120928e-08,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32362462e-01, 7.61498344e-01,
1.06139194e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.48187853e-01, 1.00000000e-12, 6.59500482e-01]))
('Chemical potentials', array([-41562.71328484, -36411.76256232, -47817.35360516]))
('Chem pot progress', array([ 74.70789643, -311.60668939, -42.58039776]))
('Energy progress', 119.14524463535054)
('Driving force', -426.82207058947097)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39609448e-01 3.60390440e-01 1.11648835e-07], NP=0.3481878533782942), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13236246 0.76149834 0.10613919], NP=0.6595004824852128)])
('reduced_hessian eigenvalues', array([ -9.30392661e+04, 5.02320150e+03, 7.26012879e+03,
1.78754655e+04, 9.70562234e+04, 6.72340847e+09,
7.43487689e+09, 5.71836940e+10]))
('reduced_hessian modified eigenvalues', array([ 5.02320150e+03, 7.26012879e+03, 1.78754655e+04,
9.30392661e+04, 9.70562234e+04, 6.72340847e+09,
7.43487689e+09, 5.71836940e+10]))
('NEW_L_MULTIPLIERS', array([ -2518.08892797, -8500.18099764, 619.56218478, 202.76207898,
5477.49625649, -17692.03001825, -41525.91835366, -36567.62006438,
-47837.11992861]))
('L_CONSTRAINTS', array([ -9.51694456e-19, 6.12395159e-17, 1.99997788e-12,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-2.65194545e-06, 7.69209922e-03, -1.11140936e-06]))
('penalty', 10000)
('old_driving_force', -39155.613157148073, 0.0076920992193160176)
('sublsum', 1.9697440740941887)
(1.0, -39170.748937653763, 0.006092556815999628)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39737708e-01 3.60260815e-01 1.47708975e-06], NP=0.3479039862166355), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13283756 0.76081099 0.10635145], NP=0.6581876314078465)])
('step', array([ 1.92366540e-04, -1.94152967e-04, 1.78642697e-06,
4.71545708e-08, -5.70623384e-07, 5.23468813e-07,
-2.01272355e-03, 4.53517008e-03, -2.52244653e-03,
0.00000000e+00, 4.75101492e-04, -6.87354508e-04,
2.12253016e-04, 0.00000000e+00, -2.83867162e-04,
-6.09161763e-03, -1.31285108e-03]))
('conv_angle', 90.574318156800345)
('Site fractions', array([ 9.59606533e-01, 4.03915408e-02, 1.92574418e-06,
5.73009103e-08, 9.99999363e-01, 5.79780906e-07,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32837563e-01, 7.60810990e-01,
1.06351447e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.47903986e-01, 1.00000000e-12, 6.58187631e-01]))
('Chemical potentials', array([-41525.91835366, -36567.62006438, -47837.11992861]))
('Chem pot progress', array([ 36.79493118, -155.85750207, -19.76632344]))
('Energy progress', 59.256814811633376)
('Driving force', -338.12637318106135)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39737708e-01 3.60260815e-01 1.47708975e-06], NP=0.3479039862166355), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13283756 0.76081099 0.10635145], NP=0.6581876314078465)])
('reduced_hessian eigenvalues', array([ -9.30422824e+04, 5.02331423e+03, 7.20562639e+03,
1.79268511e+04, 9.71144895e+04, 5.16270478e+08,
6.95404059e+08, 9.87943821e+09]))
('reduced_hessian modified eigenvalues', array([ 5.02331423e+03, 7.20562639e+03, 1.79268511e+04,
9.30422824e+04, 9.71144895e+04, 5.16270478e+08,
6.95404059e+08, 9.87943821e+09]))
('NEW_L_MULTIPLIERS', array([ -2512.15558457, -8489.38211797, 538.75985329, 175.80413974,
5490.06490435, -17633.57105834, -41508.66206141, -36645.63065766,
-47846.4294446 ]))
('L_CONSTRAINTS', array([ 2.33073821e-17, 2.39971845e-17, 1.99997788e-12,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
-6.60146322e-07, 6.09255682e-03, -2.79044196e-07]))
('penalty', 10000)
('old_driving_force', -39170.2736448879, 0.006092556815999628)
('sublsum', 0.57851751034896426)
(1.0, -39178.16080067827, 0.0052943385151599243)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39782266e-01 3.60201805e-01 1.59285802e-05], NP=0.3478120202972079), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1330468 0.76049497 0.10645824], NP=0.6574820898237869)])
('step', array([ 6.67535488e-05, -8.64077355e-05, 1.96541867e-05,
1.68041343e-07, -4.21413940e-06, 4.04609806e-06,
-1.58963653e-03, 3.61048611e-03, -2.02084958e-03,
0.00000000e+00, 2.09233041e-04, -3.16021461e-04,
1.06788420e-04, 0.00000000e+00, -9.19659194e-05,
-5.29411012e-03, -7.05541584e-04]))
('conv_angle', 90.25959486601073)
('Site fractions', array([ 9.59673287e-01, 4.03051330e-02, 2.15799309e-05,
2.25342253e-07, 9.99995149e-01, 4.62587897e-06,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.33046796e-01, 7.60494968e-01,
1.06458236e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.47812020e-01, 1.00000000e-12, 6.57482090e-01]))
('Chemical potentials', array([-41508.66206141, -36645.63065766, -47846.4294446 ]))
('Chem pot progress', array([ 17.25629226, -78.01059328, -9.309516 ]))
('Energy progress', 29.322561397792015)
('Driving force', -293.88016187191533)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39782266e-01 3.60201805e-01 1.59285802e-05], NP=0.3478120202972079), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1330468 0.76049497 0.10645824], NP=0.6574820898237869)])
('reduced_hessian eigenvalues', array([ -9.30442601e+04, 5.02336721e+03, 7.16730388e+03,
1.79493117e+04, 9.71422974e+04, 4.62561103e+07,
8.79434629e+07, 2.47775626e+09]))
('reduced_hessian modified eigenvalues', array([ 5.02336721e+03, 7.16730388e+03, 1.79493117e+04,
9.30442601e+04, 9.71422974e+04, 4.62561103e+07,
8.79434629e+07, 2.47775626e+09]))
('NEW_L_MULTIPLIERS', array([ -2509.39852441, -8492.31236319, 498.47712077, 162.40633923,
5492.91924381, -17595.29102795, -41510.0898815 , -36683.25499279,
-47849.23918147]))
('L_CONSTRAINTS', array([ -4.15046144e-18, -7.30252515e-17, 1.99997788e-12,
0.00000000e+00, -2.77555756e-17, 0.00000000e+00,
-1.51720457e-07, 5.29433852e-03, -7.66727084e-08]))
('penalty', 10000)
('old_driving_force', -39177.961605143646, 0.0052943385151599243)
('sublsum', -1.7926925790049675)
(1.0, -39183.615902507008, 0.0048963792329741462)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39637480e-01 3.60226761e-01 1.35758741e-04], NP=0.34814713478150866), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13294582 0.76054057 0.10651361], NP=0.6567492695059222)])
('step', array([ -2.17356803e-04, 4.89786985e-05, 1.68378105e-04,
3.54375392e-07, -2.30886471e-05, 2.27342717e-05,
-1.38248385e-03, 3.15768618e-03, -1.77520233e-03,
0.00000000e+00, -1.00977252e-04, 4.56027810e-05,
5.53744705e-05, 0.00000000e+00, 3.35114484e-04,
-4.89640429e-03, -7.32820318e-04]))
('conv_angle', 88.823527677462749)
('Site fractions', array([ 9.59455930e-01, 4.03541117e-02, 1.89958036e-04,
5.79717645e-07, 9.99972060e-01, 2.73601507e-05,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32945819e-01, 7.60540571e-01,
1.06513610e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.48147135e-01, 1.00000000e-12, 6.56749270e-01]))
('Chemical potentials', array([-41510.0898815 , -36683.25499279, -47849.23918147]))
('Chem pot progress', array([ -1.42782009, -37.62433513, -2.80973687]))
('Energy progress', 12.91475817139144)
('Driving force', -271.38725236558093)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39637480e-01 3.60226761e-01 1.35758741e-04], NP=0.34814713478150866), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13294582 0.76054057 0.10651361], NP=0.6567492695059222)])
('reduced_hessian eigenvalues', array([ -9.30456308e+04, 5.02337264e+03, 7.11131620e+03,
1.79291108e+04, 9.71485313e+04, 5.27330688e+06,
1.49677243e+07, 9.57206771e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02337264e+03, 7.11131620e+03, 1.79291108e+04,
9.30456308e+04, 9.71485313e+04, 5.27330688e+06,
1.49677243e+07, 9.57206771e+08]))
('NEW_L_MULTIPLIERS', array([ -2510.40855562, -8532.92456524, 478.02242621, 155.64216679,
5477.81208955, -17532.24905838, -41554.66850905, -36695.82886345,
-47847.04337952]))
('L_CONSTRAINTS', array([ 4.10099472e-17, 3.03881540e-17, 1.99997788e-12,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
2.54781646e-08, 4.89637923e-03, -4.22707994e-10]))
('penalty', 10000)
('old_driving_force', -39183.55433493109, 0.0048963792329741462)
('sublsum', -10.030816380047781)
(1.0, -39193.571687419993, 0.0046934738369109885)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63862482 0.3604937 0.00088148], NP=0.350138947618807), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13198663 0.7615398 0.10647357], NP=0.6545561859236184)])
('step', array([ -1.51917569e-03, 4.43849110e-04, 1.07532658e-03,
3.69847759e-07, -8.68805586e-05, 8.65107108e-05,
-1.29635700e-03, 2.96758265e-03, -1.67122565e-03,
0.00000000e+00, -9.59190215e-04, 9.99232080e-04,
-4.00418647e-05, 0.00000000e+00, 1.99181284e-03,
-4.69513354e-03, -2.19308358e-03]))
('conv_angle', 81.716531753385951)
('Site fractions', array([ 9.57936755e-01, 4.07979608e-02, 1.26528462e-03,
9.49565404e-07, 9.99885180e-01, 1.13870862e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.31986629e-01, 7.61539803e-01,
1.06473568e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.50138948e-01, 1.00000000e-12, 6.54556186e-01]))
('Chemical potentials', array([-41554.66850905, -36695.82886345, -47847.04337952]))
('Chem pot progress', array([-44.57862755, -12.57387066, 2.19580194]))
('Energy progress', -0.6366838026297046)
('Driving force', -257.8688531626758)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63862482 0.3604937 0.00088148], NP=0.350138947618807), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13198663 0.7615398 0.10647357], NP=0.6545561859236184)])
('reduced_hessian eigenvalues', array([ -9.30480237e+04, 5.02329106e+03, 6.95670277e+03,
1.77574337e+04, 9.71120373e+04, 8.03848348e+05,
3.62527747e+06, 5.85679147e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02329106e+03, 6.95670277e+03, 1.77574337e+04,
9.30480237e+04, 9.71120373e+04, 8.03848348e+05,
3.62527747e+06, 5.85679147e+08]))
('NEW_L_MULTIPLIERS', array([ -2524.1487049 , -8673.67435119, 462.10120317, 150.49185482,
5417.14857277, -17356.18641863, -41694.84154862, -36686.83903637,
-47860.61640118]))
('L_CONSTRAINTS', array([ 2.97071395e-17, -2.72947897e-17, 1.99997788e-12,
0.00000000e+00, 1.38777878e-17, 0.00000000e+00,
8.65541078e-08, 4.69347384e-03, 1.57315241e-06]))
('penalty', 10000)
('old_driving_force', -39193.613847453169, 0.0046934738369109885)
('sublsum', -30.417571516594478)
(1.0, -39217.760945200505, 0.0045217041831832061)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63440337 0.3614197 0.00417693], NP=0.3569483915103672), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12900518 0.76516285 0.10583197], NP=0.6475922378081799)])
('step', array([ -6.33226483e-03, 1.49081561e-03, 4.84144922e-03,
1.69836289e-07, -2.03619536e-04, 2.03449699e-04,
-1.28399235e-03, 2.93409285e-03, -1.65010049e-03,
0.00000000e+00, -2.98144488e-03, 3.62304651e-03,
-6.41601628e-04, 0.00000000e+00, 6.80944389e-03,
-4.54062932e-03, -6.96394812e-03]))
('conv_angle', 71.514966255438907)
('Site fractions', array([ 9.51604490e-01, 4.22887764e-02, 6.10673384e-03,
1.11940169e-06, 9.99681560e-01, 3.17320561e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.29005184e-01, 7.65162850e-01,
1.05831967e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.56948392e-01, 1.00000000e-12, 6.47592238e-01]))
('Chemical potentials', array([-41694.84154862, -36686.83903637, -47860.61640118]))
('Chem pot progress', array([-140.17303957, 8.98982708, -13.57302166]))
('Energy progress', -17.33612222476222)
('Driving force', -241.84267014514626)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63440337 0.3614197 0.00417693], NP=0.3569483915103672), CompositionSet(BCC_A2, [ 0.12900518 0.76516285 0.10583197], NP=0.6475922378081799)])
('reduced_hessian eigenvalues', array([ 6.58411422e+03, 1.71643775e+04, 1.77162035e+05,
1.32254392e+06, 5.03969407e+08]))
('NEW_L_MULTIPLIERS', array([ -2540.86530404, -8891.32245033, 5351.73761016, -16678.75997863,
-41807.72138038, -37088.17592671, -48030.22395886]))
('L_CONSTRAINTS', array([ -1.47451495e-17, 1.01372903e-16, 8.32667268e-17,
0.00000000e+00, -7.98312173e-06, 4.52170418e-03,
2.69082581e-05]))
('penalty', 10000)
('old_driving_force', -39215.942555823516, 0.0045217041821832282)
('sublsum', -52.29598092240829)
(1.0, -39294.141935697582, 0.00017033931612737974)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.62345619 0.36294468 0.01359913], NP=0.37048349561762595), CompositionSet(BCC_A2, [ 0.12539289 0.77114344 0.10346366], NP=0.6295165043823742)])
('step', array([ -1.64208805e-02, 2.42696070e-03, 1.39939198e-02,
2.33875304e-07, -2.79008763e-04, 2.78774888e-04,
-3.61229223e-03, 5.98059406e-03, -2.36830183e-03,
0.00000000e+00, 1.35351041e-02, -1.80757334e-02]))
('conv_angle', 64.653773739946899)
('Site fractions', array([ 9.35183609e-01, 4.47157371e-02, 2.01006537e-02,
1.35327700e-06, 9.99402551e-01, 5.96095449e-04,
1.25392892e-01, 7.71143444e-01, 1.03463665e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.3704835, 0.6295165]))
('Chemical potentials', array([-41807.72138038, -37088.17592671, -48030.22395886]))
('Chem pot progress', array([-112.87983176, -401.33689034, -169.60755767]))
('Energy progress', 131.14748079037236)
('Driving force', 19.629657579847844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.62345619 0.36294468 0.01359913], NP=0.37048349561762595), CompositionSet(BCC_A2, [ 0.12539289 0.77114344 0.10346366], NP=0.6295165043823742)])
('reduced_hessian eigenvalues', array([ 5.79564637e+03, 1.60120391e+04, 6.42399522e+04,
7.28673363e+05, 4.31454421e+08]))
('NEW_L_MULTIPLIERS', array([ -2638.59787023, -9195.41553687, 5176.61612576, -16283.80219 ,
-41922.63559539, -37026.07466226, -48334.33003902]))
('L_CONSTRAINTS', array([ -1.04083409e-17, -4.38017678e-17, -5.55111512e-17,
0.00000000e+00, -8.28763318e-05, -8.74629843e-05,
1.70339316e-04]))
('penalty', 10000)
('old_driving_force', -39294.094226582551, 0.00017033931612737974)
('sublsum', -37.359593242528227)
(1.0, -39313.388729998209, 0.00032914452963402063)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60769699 0.36473817 0.02756484], NP=0.38684245579188126), CompositionSet(BCC_A2, [ 0.12185622 0.78083455 0.09730924], NP=0.6131575442081187)])
('step', array([ -2.36389634e-02, 2.78251608e-03, 2.08564473e-02,
3.10808730e-07, -1.84545084e-04, 1.84234275e-04,
-3.53667591e-03, 9.69110386e-03, -6.15442795e-03,
0.00000000e+00, 1.63589602e-02, -1.63589602e-02]))
('conv_angle', 60.030311479641043)
('Site fractions', array([ 9.11544646e-01, 4.74982532e-02, 4.09571010e-02,
1.66408573e-06, 9.99218006e-01, 7.80329724e-04,
1.21856216e-01, 7.80834548e-01, 9.73092367e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.38684246, 0.61315754]))
('Chemical potentials', array([-41922.63559539, -37026.07466226, -48334.33003902]))
('Chem pot progress', array([-114.91421501, 62.10126445, -304.10608016]))
('Energy progress', -23.693169664853485)
('Driving force', 15.614807311307231)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60769699 0.36473817 0.02756484], NP=0.38684245579188126), CompositionSet(BCC_A2, [ 0.12185622 0.78083455 0.09730924], NP=0.6131575442081187)])
('reduced_hessian eigenvalues', array([ 5.20901820e+03, 1.49058117e+04, 4.03577406e+04,
5.79238633e+05, 3.65186793e+08]))
('NEW_L_MULTIPLIERS', array([ -2699.38020011, -9292.94208004, 5113.76322628, -16137.25851726,
-41877.28714953, -37002.35868504, -48594.93474703]))
('L_CONSTRAINTS', array([ -3.46944695e-17, -3.65376132e-17, -5.55111512e-17,
0.00000000e+00, -1.99947872e-04, -1.29196658e-04,
3.29144530e-04]))
('penalty', 10000)
('old_driving_force', -39313.29082203393, 0.00032914452963402063)
('sublsum', -5.0358158782750166)
(1.0, -39321.25767364409, 6.2220549893521326e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6006138 0.36518349 0.0342027 ], NP=0.39265684253641014), CompositionSet(BCC_A2, [ 0.12204403 0.78471001 0.09324596], NP=0.6073431574635898)])
('step', array([ -1.06248881e-02, 6.86428505e-04, 9.93845961e-03,
2.27302320e-07, -3.68860040e-05, 3.66587017e-05,
1.87810850e-04, 3.87546697e-03, -4.06327782e-03,
0.00000000e+00, 5.81438674e-03, -5.81438674e-03]))
('conv_angle', 56.021530149702897)
('Site fractions', array([ 9.00919758e-01, 4.81846817e-02, 5.08955606e-02,
1.89138805e-06, 9.99181120e-01, 8.16988425e-04,
1.22044027e-01, 7.84710015e-01, 9.32459589e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.39265684, 0.60734316]))
('Chemical potentials', array([-41877.28714953, -37002.35868504, -48594.93474703]))
('Chem pot progress', array([ 45.34844586, 23.71597722, -260.60470801]))
('Energy progress', -0.30267277025268413)
('Driving force', 2.5647487255337182)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6006138 0.36518349 0.0342027 ], NP=0.39265684253641014), CompositionSet(BCC_A2, [ 0.12204403 0.78471001 0.09324596], NP=0.6073431574635898)])
('reduced_hessian eigenvalues', array([ 5.03605164e+03, 1.44712606e+04, 3.62052819e+04,
5.60865265e+05, 3.25717132e+08]))
('NEW_L_MULTIPLIERS', array([ -2705.95617542, -9295.89796703, 5110.77487622, -16130.9244366 ,
-41863.78747707, -37001.17994412, -48628.87912153]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 3.51281504e-17, 2.77555756e-17,
0.00000000e+00, -4.22763701e-05, -1.99441798e-05,
6.22205499e-05]))
('penalty', 10000)
('old_driving_force', -39321.254967380271, 6.2220549893521326e-05)
('sublsum', -0.028626589622221421)
(1.0, -39322.509485407019, 2.1175439395004769e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60015075 0.36515643 0.03469282], NP=0.3928957866383149), CompositionSet(BCC_A2, [ 0.12222472 0.78492541 0.09284987], NP=0.6071042133616853)])
('step', array([ -6.94593754e-04, -4.09202369e-05, 7.35513991e-04,
3.42924446e-08, 6.32458427e-07, -6.66750872e-07,
1.80697050e-04, 2.15391458e-04, -3.96088508e-04,
0.00000000e+00, 2.38944102e-04, -2.38944102e-04]))
('conv_angle', 45.812100165552089)
('Site fractions', array([ 9.00225164e-01, 4.81437615e-02, 5.16310746e-02,
1.92568049e-06, 9.99181753e-01, 8.16321675e-04,
1.22224724e-01, 7.84925406e-01, 9.28498704e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.39289579, 0.60710421]))
('Chemical potentials', array([-41863.78747707, -37001.17994412, -48628.87912153]))
('Chem pot progress', array([ 13.49967246, 1.17874092, -33.9443745 ]))
('Energy progress', 0.5018520732191973)
('Driving force', 0.013501257075404283)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60015075 0.36515643 0.03469282], NP=0.3928957866383149), CompositionSet(BCC_A2, [ 0.12222472 0.78492541 0.09284987], NP=0.6071042133616853)])
('reduced_hessian eigenvalues', array([ 5.02537102e+03, 1.44378646e+04, 3.59826425e+04,
5.61631279e+05, 3.20093379e+08]))
('NEW_L_MULTIPLIERS', array([ -2705.98422745, -9295.87547519, 5110.78035663, -16130.94265159,
-41863.69226645, -37001.18454863, -48629.06711526]))
('L_CONSTRAINTS', array([ 4.85722573e-17, -3.68628739e-18, -2.77555756e-17,
0.00000000e+00, -1.53819817e-07, -5.79345771e-08,
2.11754394e-07]))
('penalty', 10000)
('old_driving_force', -39322.509485352828, 2.1175439395004769e-07)
('sublsum', -4.7975268767839488e-07)
(1.0, -39322.513720630312, 2.5136837056294326e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60014945 0.36515602 0.03469453], NP=0.39289500879374195), CompositionSet(BCC_A2, [ 0.12222643 0.78492523 0.09284834], NP=0.607104991206258)])
('step', array([ -1.95149304e-06, -6.14708332e-07, 2.56620137e-06,
3.78321057e-10, 1.72463953e-08, -1.76247163e-08,
1.70757838e-06, -1.80905101e-07, -1.52667328e-06,
0.00000000e+00, -7.77844573e-07, 7.77844573e-07]))
('conv_angle', 60.021677283623973)
('Site fractions', array([ 9.00223212e-01, 4.81431468e-02, 5.16336408e-02,
1.92605881e-06, 9.99181770e-01, 8.16304050e-04,
1.22226431e-01, 7.84925225e-01, 9.28483437e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.39289501, 0.60710499]))
('Chemical potentials', array([-41863.69226645, -37001.18454863, -48629.06711526]))
('Chem pot progress', array([ 0.09521061, -0.00460451, -0.18799373]))
('Energy progress', 0.0017140831623692065)
('Driving force', 1.4029501471668482e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60014945 0.36515602 0.03469453], NP=0.39289500879374195), CompositionSet(BCC_A2, [ 0.12222643 0.78492523 0.09284834], NP=0.607104991206258)])
('reduced_hessian eigenvalues', array([ 5.02651958e+03, 1.44410550e+04, 3.59843386e+04,
5.61644200e+05, 3.20029925e+08]))
('NEW_L_MULTIPLIERS', array([ -2705.9842304 , -9295.87547872, 5110.78035848, -16130.94265363,
-41863.69226502, -37001.1845474 , -48629.06713051]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -6.87384177e-17, 8.32667268e-17,
0.00000000e+00, 2.34012809e-12, 1.73527859e-13,
-2.51368371e-12]))
('penalty', 10000)
('old_driving_force', -39322.513720630312, 2.5136837056294326e-12)
('sublsum', -2.3460361898382102e-15)
(1.0, -39322.513720680574, 1.1893697832165984e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60014945 0.36515602 0.03469453], NP=0.39289500883395917), CompositionSet(BCC_A2, [ 0.12222643 0.78492523 0.09284834], NP=0.6071049911660409)])
('step', array([ 2.32027640e-10, -4.63382940e-11, -1.85689346e-10,
3.18974437e-14, -7.00970564e-14, 3.82683511e-14,
-1.35627365e-10, 4.75287445e-11, 8.80985373e-11,
0.00000000e+00, 4.02172199e-11, -4.02171506e-11]))
('conv_angle', 68.79295929668254)
('Site fractions', array([ 9.00223213e-01, 4.81431467e-02, 5.16336406e-02,
1.92605884e-06, 9.99181770e-01, 8.16304050e-04,
1.22226431e-01, 7.84925225e-01, 9.28483438e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.39289501, 0.60710499]))
('Chemical potentials', array([-41863.69226502, -37001.1845474 , -48629.06713051]))
('Chem pot progress', array([ 1.43104262e-06, 1.23184873e-06, -1.52439534e-05]))
('Energy progress', -1.784064806997776e-08)
('Driving force', 7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.12222649 0.78492526 0.09284825], NP=1.0), -4.5838532969355583e-10), (CompositionSet(BCC_A2, [ 0.12222642 0.78492524 0.09284834], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.12222643 0.78492523 0.09284834], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12222642 0.78492532 0.09284827], NP=1.0), -2.1827872842550278e-10), (CompositionSet(BCC_A2, [ 0.12222643 0.78492523 0.09284834], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.12222644 0.78492518 0.09284838], NP=1.0), -6.548361852765083e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.60014947 0.365156 0.03469453], NP=1.0), -2.9103830456733704e-11)], 'HCP_A3': []})
No progress
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.3720716241355409), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.07349804025644516), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.554430335608014)])
('reduced_hessian eigenvalues', array([ -7.75132293e+01, 5.68388868e+03, 7.64085881e+03,
1.21968108e+14, 2.02192447e+14, 3.63444072e+14,
5.85852906e+14, 7.24416222e+14]))
('reduced_hessian modified eigenvalues', array([ 7.75440170e+01, 5.68382677e+03, 7.64080098e+03,
1.21968108e+14, 2.02192447e+14, 3.63444072e+14,
5.85852906e+14, 7.24416222e+14]))
('NEW_L_MULTIPLIERS', array([ 461.82930015, 1822.67383397, -13647.72879043, 62382.08390565,
24561.37722331, -79454.58144186, -41231.8750175 , -37051.10722045,
-62480.46204146]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.99922887e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, -6.93889390e-18]))
('penalty', 10000)
('old_driving_force', -39017.69668108601, 1.9992288680364425e-16)
('sublsum', -1013.9255713046809)
(1.0, -30979.038784913326, 0.37000000000141442)
(0.5, -32758.631692951702, 0.43117717290611501)
(0.25, -34421.116185117549, 0.37867283268553564)
(0.125, -37011.103284105244, 0.19685256234326298)
(0.0625, -38494.121254965299, 0.055239737868468253)
(0.03125, -39029.220037401043, 0.001609380790065007)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 5.92373026e-01 4.07626974e-01 1.00000000e-12], NP=0.35812204601712044), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.012347912778358588), CompositionSet(BCC_A2, [ 0.1546386 0.75180092 0.09356048], NP=0.629530041204521)])
('step', array([ -1.05392158e-02, 1.05392158e-02, -9.42052662e-12,
-3.91956888e-12, 1.19941180e-11, -8.07428671e-12,
-8.18191420e-10, 1.67108867e-09, -8.52897135e-10,
0.00000000e+00, -2.17984112e-01, 6.87062576e-01,
-4.69078463e-01, 0.00000000e+00, -4.46386500e-01,
-1.95680408e+00, 2.40319058e+00]))
('conv_angle', 89.842968426449829)
('Site fractions', array([ 8.88559538e-01, 1.11440462e-01, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.54638599e-01, 7.51800916e-01,
9.35604847e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.35812205, 0.01234791, 0.62953004]))
('Chemical potentials', array([-41231.8750175 , -37051.10722045, -62480.46204146]))
('Chem pot progress', array([ 155.53557103, -304.05048264, -11864.5678112 ]))
('Energy progress', -13.590716014768986)
('Driving force', 811.4988735453444)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92373026e-01 4.07626974e-01 1.00000000e-12], NP=0.35812204601712044), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.012347912778358588), CompositionSet(BCC_A2, [ 0.1546386 0.75180092 0.09356048], NP=0.629530041204521)])
('reduced_hessian eigenvalues', array([ -1.88263161e+03, 5.59127385e+03, 7.55751783e+03,
2.07035199e+13, 6.21049439e+13, 1.95747622e+14,
5.75020257e+14, 7.15010932e+14]))
('reduced_hessian modified eigenvalues', array([ 1.88262879e+03, 5.59120959e+03, 7.55749949e+03,
2.07035199e+13, 6.21049439e+13, 1.95747622e+14,
5.75020257e+14, 7.15010932e+14]))
('NEW_L_MULTIPLIERS', array([ -2376.60015191, -8630.06800193, -274.50217357, 1188.62176258,
5831.28218247, -18498.37685844, -42095.03527508, -36918.28766644,
-47748.56932623]))
('L_CONSTRAINTS', array([ 2.94189590e-13, 3.74611370e-13, 1.99997788e-12,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
-5.08516589e-04, 1.60938079e-03, -1.10086420e-03]))
('penalty', 10000)
('old_driving_force', -39013.654912666854, 0.001609380790065007)
('sublsum', -200.61065772782362)
(1.0, -38594.696094838728, 0.040888921755898533)
(0.5, -38958.875828599557, 0.013738863842024718)
(0.25, -39060.125809398225, 0.0014739260720664227)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 6.11336466e-01 3.88663534e-01 9.06042557e-12], NP=0.3547288510534254), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.00024065062577146613), CompositionSet(BCC_A2, [ 0.14343813 0.76486787 0.09169399], NP=0.6450304983208285)])
('step', array([ 1.13780642e-01, -1.13780642e-01, 3.44685969e-11,
1.92109667e-11, -4.73735743e-11, 2.77879130e-11,
-9.37782460e-11, 1.79161280e-10, -8.73830378e-11,
0.00000000e+00, -4.48018568e-02, 5.22678340e-02,
-7.46597720e-03, 0.00000000e+00, -1.35727799e-02,
-4.84290486e-02, 6.20018285e-02]))
('conv_angle', 88.759490906569184)
('Site fractions', array([ 9.17004699e-01, 8.29953012e-02, 9.61714923e-12,
5.80274167e-12, 1.00000000e+00, 7.94697824e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.43438135e-01, 7.64867875e-01,
9.16939904e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.54728851e-01, 2.40650626e-04, 6.45030498e-01]))
('Chemical potentials', array([-42095.03527508, -36918.28766644, -47748.56932623]))
('Chem pot progress', array([ -863.16025758, 132.81955402, 14731.89271523]))
('Energy progress', -45.85539526397042)
('Driving force', 83.29199383915693)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.11336466e-01 3.88663534e-01 9.06042557e-12], NP=0.3547288510534254), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.00024065062577146613), CompositionSet(BCC_A2, [ 0.14343813 0.76486787 0.09169399], NP=0.6450304983208285)])
('reduced_hessian eigenvalues', array([ 6.15688689e+02, 7.00020124e+03, 9.56603874e+03,
4.03591067e+11, 1.21077316e+12, 4.04446030e+13,
1.04674388e+14, 1.28865300e+14]))
('NEW_L_MULTIPLIERS', array([ -2241.40467776, -7871.43931502, -1515.56174017, 6737.84554889,
7289.95241357, -23638.34904488, -41710.87025365, -36747.04793183,
-51122.63320129]))
('L_CONSTRAINTS', array([ 2.20596250e-13, 2.80888259e-13, 1.99997788e-12,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-6.19346407e-04, 1.47392607e-03, -8.54579665e-04]))
('penalty', 10000)
('old_driving_force', -39063.023679257378, 0.0014739260720664227)
('sublsum', -125.78535151611175)
(1.0, -36749.604676446761, 0.22203649372773371)
(0.5, -38018.898988832552, 0.10712050188355493)
(0.25, -38568.37651083072, 0.053048292989435253)
(0.125, -38823.285906373603, 0.026858635299367606)
(0.0625, -38945.933887736595, 0.01397541814358183)
(0.03125, -39006.073603836485, 0.0075867124880010239)
(0, -39063.023679257378, 0.0014739260720664227)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 6.11336466e-01 3.88663534e-01 9.06042557e-12], NP=0.3547288510534254), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.00024065062577146613), CompositionSet(BCC_A2, [ 0.14343813 0.76486787 0.09169399], NP=0.6450304983208285)])
('step', array([ 5.10729215e-02, -5.10729217e-02, 1.89775483e-10,
6.28024431e-11, -1.88420035e-10, 1.25336684e-10,
-2.69776421e-08, 5.56252678e-08, -2.86496257e-08,
0.00000000e+00, -3.79541447e-02, 7.06030782e-02,
-3.26489335e-02, 0.00000000e+00, -3.47724664e-02,
-2.04219614e-01, 2.38992080e-01]))
('conv_angle', 89.510898931862812)
('Site fractions', array([ 9.17004699e-01, 8.29953012e-02, 9.61714923e-12,
5.80274167e-12, 1.00000000e+00, 7.94697824e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.43438135e-01, 7.64867875e-01,
9.16939904e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.54728851e-01, 2.40650626e-04, 6.45030498e-01]))
('Chemical potentials', array([-41710.87025365, -36747.04793183, -51122.63320129]))
('Chem pot progress', array([ 384.16502144, 171.23973461, -3374.06387506]))
('Energy progress', 0.0)
('Driving force', 55.865767034498276)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.11336466e-01 3.88663534e-01 9.06042557e-12], NP=0.3547288510534254), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.00024065062577146613), CompositionSet(BCC_A2, [ 0.14343813 0.76486787 0.09169399], NP=0.6450304983208285)])
('reduced_hessian eigenvalues', array([ 6.78436617e+01, 7.01341331e+03, 9.43867133e+03,
4.03591067e+11, 1.21077316e+12, 4.04446030e+13,
1.04674388e+14, 1.28865300e+14]))
('NEW_L_MULTIPLIERS', array([ 3.09307019e+01, 2.61299591e+02, -1.26533473e+04,
5.77320224e+04, 2.26459162e+04, -7.40062171e+04,
-4.15319731e+04, -3.67469802e+04, -6.12661304e+04]))
('L_CONSTRAINTS', array([ 2.20596250e-13, 2.80888259e-13, 1.99997788e-12,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-6.19346407e-04, 1.47392607e-03, -8.54579665e-04]))
('penalty', 1000.0)
('old_driving_force', -39098.112075525176, 0.0014739260720664227)
('sublsum', -579.92351508016918)
(1.0, -38496.233334081953, 0.370000000001388)
(0.5, -39454.696474692508, 0.41161157697877615)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 6.11695153e-01 3.88304847e-01 1.00000000e-12], NP=0.17169248636074827), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 8.26418090e-02 9.74942552e-01 1.00000000e-12], NP=1.0)])
('step', array([ 1.07606254e-03, -1.07606252e-03, -2.04098927e-11,
-2.08460924e-12, 1.74964159e-11, -1.56925769e-11,
-2.30861672e-07, 4.70595054e-07, -2.39735382e-07,
0.00000000e+00, -1.21592651e-01, 4.20149355e-01,
-2.98556704e-01, 0.00000000e+00, -3.66072729e-01,
-1.74347402e+00, 2.10954674e+00]))
('conv_angle', 89.883032026316471)
('Site fractions', array([ 9.17542730e-01, 8.24572699e-02, 1.00000000e-12,
4.76043705e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 8.26418090e-02, 9.74942552e-01,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.71692486e-01, 1.00000000e-12, 1.00000000e+00]))
('Chemical potentials', array([-41531.97312775, -36746.98020011, -61266.13038436]))
('Chem pot progress', array([ 1.78897126e+02, 6.77317184e-02, -1.01434972e+04]))
('Energy progress', -6093.745688492294)
('Driving force', 899.30049616718316)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.11695153e-01 3.88304847e-01 1.00000000e-12], NP=0.17169248636074827), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 8.26418090e-02 9.74942552e-01 1.00000000e-12], NP=1.0)])
('reduced_hessian eigenvalues', array([ -9.85522573e+04, 3.92946521e+03, 5.02950070e+03,
8.87599876e+03, 1.04025722e+05, 4.04825364e+13,
2.18689411e+14, 4.24099508e+14]))
('reduced_hessian modified eigenvalues', array([ 3.92943860e+03, 5.02952811e+03, 8.87600774e+03,
9.85522611e+04, 1.04025733e+05, 4.04825364e+13,
2.18689411e+14, 4.24099508e+14]))
('NEW_L_MULTIPLIERS', array([ -2.62348752e+03, -1.08485903e+04, 1.74878998e+04,
5.99599587e+03, 5.96103328e+03, -3.22787989e+04,
-4.97767020e+04, -3.23872020e+04, 2.57640093e+14]))
('L_CONSTRAINTS', array([ 1.69802497e-12, 1.03985701e-12, 1.99997788e-12,
0.00000000e+00, 5.75843614e-02, 0.00000000e+00,
-1.22334729e-01, 4.11611577e-01, -6.00000000e-02]))
('penalty', 10000)
('old_driving_force', 15458405554372.947, 0.41161157697877615)
('sublsum', -15458405597397.018)
(1.0, -310527410049.79822, 0.18213473013749926)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('step', array([ 3.07216452e-02, -8.19296207e-02, 5.12079754e-02,
1.44672804e-10, -5.12079756e-02, 5.12079754e-02,
-9.97339700e-02, 1.40973651e-01, -4.12396810e-02,
0.00000000e+00, -2.58470275e-02, -8.29453092e-02,
5.12079754e-02, 0.00000000e+00, 2.69765191e-01,
-1.81050463e-01, -2.46228314e-01]))
('conv_angle', 82.766244882638574)
('Site fractions', array([ 9.48264375e-01, 5.27649245e-04, 5.12079754e-02,
1.49433241e-10, 9.48792024e-01, 5.12079754e-02,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 5.67947814e-02, 8.91997243e-01,
5.12079754e-02, 1.00000000e+00]))
('Phase fractions', array([ 4.41457677e-01, 1.00000000e-12, 7.53771686e-01]))
('Chemical potentials', array([ -4.97767020e+04, -3.23872020e+04, 2.57640093e+14]))
('Chem pot progress', array([ -8.24472891e+03, 4.35977817e+03, 2.57640093e+14]))
('Energy progress', -882.781530587672)
('Driving force', -15768932962599.518)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('reduced_hessian eigenvalues', array([ -1.52583124e+14, -1.30848389e+14, 2.51561165e+03,
1.56067710e+04, 1.89328762e+06, 4.41812312e+12,
1.29871912e+14, 1.67120293e+14]))
('reduced_hessian modified eigenvalues', array([ 2.51559763e+03, 1.56067804e+04, 1.89328763e+06,
4.41812312e+12, 1.29871912e+14, 1.30848389e+14,
1.52583124e+14, 1.67120293e+14]))
('NEW_L_MULTIPLIERS', array([ -7.21397185e+11, -3.73393348e+11, 7.87354099e+12,
3.25486867e+03, -2.22923314e+12, -6.25204279e+12,
-2.09828128e+12, 8.89911637e+12, 2.38311726e+13]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 2.77555756e-17, 1.99997788e-12,
0.00000000e+00, -7.63278329e-17, 0.00000000e+00,
1.18893570e-02, 1.82134730e-01, 1.20527581e-03]))
('penalty', 10000)
('old_driving_force', -1624614122381.3464, 0.18213473013749926)
('sublsum', 1624614084822.2356)
(1.0, -1293077070422.4946, 0.088218437602376021)
(0.5, -1425696175262.5735, 0.13732680650808038)
(0.25, -1524583234613.3076, 0.15962599490297269)
(0.125, -1574455699983.449, 0.17085416916528162)
(0.0625, -1599499166592.1086, 0.1764879013126518)
(0.03125, -1612047708377.1841, 0.17930967864039082)
(0, -1624614122381.3464, 0.18213473013749926)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('step', array([-0.06553448, 0.01315099, 0.05238349, -0.00532804, 0.08959696,
-0.08426892, 0.05206809, 0.03634815, -0.08841624, 0. ,
0.0491037 , -0.05053769, 0.00143399, 0. , -0.03988683,
-0.0916807 , -0.06366183]))
('conv_angle', 105.5160330882088)
('Site fractions', array([ 9.48264375e-01, 5.27649245e-04, 5.12079754e-02,
1.49433241e-10, 9.48792024e-01, 5.12079754e-02,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 5.67947814e-02, 8.91997243e-01,
5.12079754e-02, 1.00000000e+00]))
('Phase fractions', array([ 4.41457677e-01, 1.00000000e-12, 7.53771686e-01]))
('Chemical potentials', array([ -2.09828128e+12, 8.89911637e+12, 2.38311726e+13]))
('Chem pot progress', array([ -2.09828123e+12, 8.89911640e+12, -2.33808921e+14]))
('Energy progress', 0.0)
('Driving force', -8010460591495.1406)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('reduced_hessian eigenvalues', array([ -9.73907658e+12, 1.30325135e+04, 2.34485401e+06,
4.15946874e+12, 1.34236906e+13]))
('reduced_hessian modified eigenvalues', array([ 1.30325133e+04, 2.34485402e+06, 4.15946874e+12,
9.73907658e+12, 1.34236906e+13]))
('NEW_L_MULTIPLIERS', array([ 3.10196402e+11, 1.72244741e+11, 3.67274542e+11,
8.59791520e+11, -7.60846248e+11, 6.40501633e+11,
3.03406133e+12]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 2.77555756e-17, -7.63278329e-17,
0.00000000e+00, 1.18893570e-02, 1.82134730e-01,
1.20527581e-03]))
('penalty', 1000.0)
('old_driving_force', -111268545957.63748, 0.18213473013649917)
('sublsum', 111268506221.7171)
(1.0, -31644415000.755737, 0.0086548161478557789)
(0.5, -62959261937.655922, 0.091457338968670365)
(0.25, -83903164885.14032, 0.13705898986458442)
(0.125, -97472919056.288559, 0.15948237443498925)
(0.0625, -104342498415.78549, 0.17077993089435606)
(0.03125, -107798463664.00287, 0.17645017516758077)
(0, -111268545957.63748, 0.18213473013649917)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('step', array([-0.03762756, -0.00021323, 0.03784079, 0.00719649, 0.1241692 ,
-0.13136568, 0.07906185, -0.10159663, 0.02253478, 0. ,
-0.08756091, -0.10766845]))
('conv_angle', 96.782190148811239)
('Site fractions', array([ 9.48264375e-01, 5.27649245e-04, 5.12079754e-02,
1.49433241e-10, 9.48792024e-01, 5.12079754e-02,
5.67947814e-02, 8.91997243e-01, 5.12079754e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.44145768, 0.75377169]))
('Chemical potentials', array([ -7.60846248e+11, 6.40501633e+11, 3.03406133e+12]))
('Chem pot progress', array([ 1.33743503e+12, -8.25861473e+12, -2.07971112e+13]))
('Energy progress', 0.0)
('Driving force', -460965917881.45966)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('reduced_hessian eigenvalues', array([ -1.40468345e+12, 1.33161838e+04, 2.31711796e+06,
1.84395823e+12, 4.61800034e+12]))
('reduced_hessian modified eigenvalues', array([ 1.33161834e+04, 2.31711796e+06, 1.40468345e+12,
1.84395823e+12, 4.61800034e+12]))
('NEW_L_MULTIPLIERS', array([ 1.35772190e+10, 1.13189957e+10, 2.92890461e+09,
6.30516784e+10, -1.11557348e+11, 7.26859211e+10,
4.56329994e+11]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 2.77555756e-17, -7.63278329e-17,
0.00000000e+00, 1.18893570e-02, 1.82134730e-01,
1.20527581e-03]))
('penalty', 100.0)
('old_driving_force', -12462335026.585434, 0.18213473013649917)
('sublsum', 12462295208.28117)
(1.0, -4081005417.7880063, 0.0074229992503150044)
(0.5, -6957472595.6654167, 0.091753433931171746)
(0.25, -9396502744.96875, 0.13707154435529878)
(0.125, -10916983505.289318, 0.15948551305766789)
(0.0625, -11686550420.840508, 0.17078071555002572)
(0.03125, -12073665512.466309, 0.1764503713314981)
(0, -12462335026.585434, 0.18213473013649917)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('step', array([-0.04246654, 0.00116072, 0.04130583, 0.00190143, 0.12038398,
-0.12228541, 0.07943325, -0.09884247, 0.01940922, 0. ,
-0.08421815, -0.11101121]))
('conv_angle', 96.371070394731859)
('Site fractions', array([ 9.48264375e-01, 5.27649245e-04, 5.12079754e-02,
1.49433241e-10, 9.48792024e-01, 5.12079754e-02,
5.67947814e-02, 8.91997243e-01, 5.12079754e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.44145768, 0.75377169]))
('Chemical potentials', array([ -1.11557348e+11, 7.26859211e+10, 4.56329994e+11]))
('Chem pot progress', array([ 6.49288900e+11, -5.67815712e+11, -2.57773134e+12]))
('Energy progress', 0.0)
('Driving force', -51051487069.649368)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('reduced_hessian eigenvalues', array([ -2.12778049e+11, 1.35621704e+04, 2.28427798e+06,
2.78955162e+11, 4.63763630e+12]))
('reduced_hessian modified eigenvalues', array([ 1.35621702e+04, 2.28427797e+06, 2.12778049e+11,
2.78955162e+11, 4.63763630e+12]))
('NEW_L_MULTIPLIERS', array([ 1.49958114e+09, 1.39206041e+09, 2.87850372e+08,
7.79510706e+09, -1.65810766e+10, 8.37443135e+09,
7.00260652e+10]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 2.77555756e-17, -7.63278329e-17,
0.00000000e+00, 1.18893570e-02, 1.82134730e-01,
1.20527581e-03]))
('penalty', 10.0)
('old_driving_force', -1412583229.5533388, 0.18213473013649917)
('sublsum', 1412543441.4802866)
(1.0, -569273763.71931362, 0.0065940553911387201)
(0.5, -785149574.84891522, 0.092092654332783463)
(0.25, -1064984123.8643765, 0.13708138188220853)
(0.125, -1237399487.9006197, 0.15948797243939528)
(0.0625, -1324645311.5422726, 0.17078133039545762)
(0.03125, -1368527758.7626832, 0.17645052504285597)
(0, -1412583229.5533388, 0.18213473013649917)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('step', array([-0.04644583, 0.00188388, 0.04456194, 0.00026957, 0.11583357,
-0.11610314, 0.07925982, -0.0961908 , 0.01693098, 0. ,
-0.08153822, -0.11369114]))
('conv_angle', 94.95342513852394)
('Site fractions', array([ 9.48264375e-01, 5.27649245e-04, 5.12079754e-02,
1.49433241e-10, 9.48792024e-01, 5.12079754e-02,
5.67947814e-02, 8.91997243e-01, 5.12079754e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.44145768, 0.75377169]))
('Chemical potentials', array([ -1.65810766e+10, 8.37443135e+09, 7.00260652e+10]))
('Chem pot progress', array([ 9.49762716e+10, -6.43114898e+10, -3.86303929e+11]))
('Energy progress', 0.0)
('Driving force', -5749905155.7453671)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('reduced_hessian eigenvalues', array([ -3.32281365e+10, 1.37696833e+04, 2.25188605e+06,
4.25210108e+10, 4.64826150e+12]))
('reduced_hessian modified eigenvalues', array([ 1.37696833e+04, 2.25188605e+06, 3.32281365e+10,
4.25210108e+10, 4.64826150e+12]))
('NEW_L_MULTIPLIERS', array([ 1.71833239e+08, 1.65596907e+08, 2.06797416e+07,
9.80923711e+08, -2.48401972e+09, 9.74214978e+08,
1.09084702e+10]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 2.77555756e-17, -7.63278329e-17,
0.00000000e+00, 1.18893570e-02, 1.82134730e-01,
1.20527581e-03]))
('penalty', 1.0)
('old_driving_force', -161098753.57809559, 0.18213473013649917)
('sublsum', 161058990.95225331)
(1.0, -82371353.724150866, 0.006512836995733573)
(0.5, -89213087.843862176, 0.092394988552244706)
(0.25, -121448211.2447864, 0.13708796833271442)
(0.125, -141119930.93942937, 0.15948961905202175)
(0.0625, -151070954.42120746, 0.17078174204861418)
(0.03125, -156075257.05017823, 0.17645062795614508)
(0, -161098753.57809559, 0.18213473013649917)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('step', array([ -4.91907662e-02, 2.20715021e-03, 4.69836160e-02,
3.34464401e-05, 1.11678754e-01, -1.11712200e-01,
7.89177858e-02, -9.40460299e-02, 1.51282441e-02,
0.00000000e+00, -7.96257273e-02, -1.15603636e-01]))
('conv_angle', 93.765078217015272)
('Site fractions', array([ 9.48264375e-01, 5.27649245e-04, 5.12079754e-02,
1.49433241e-10, 9.48792024e-01, 5.12079754e-02,
5.67947814e-02, 8.91997243e-01, 5.12079754e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.44145768, 0.75377169]))
('Chemical potentials', array([ -2.48401972e+09, 9.74214978e+08, 1.09084702e+10]))
('Chem pot progress', array([ 1.40970569e+10, -7.40021637e+09, -5.91175949e+10]))
('Energy progress', 0.0)
('Driving force', -659316290.80646312)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('reduced_hessian eigenvalues', array([ -5.25681915e+09, 1.39459395e+04, 2.22175689e+06,
6.57471860e+09, 4.64999344e+12]))
('reduced_hessian modified eigenvalues', array([ 1.39459395e+04, 2.22175689e+06, 5.25681915e+09,
6.57471860e+09, 4.64999344e+12]))
('NEW_L_MULTIPLIERS', array([ 2.06181845e+07, 2.00702625e+07, 1.86347909e+06,
1.26853335e+08, -3.76727601e+08, 1.12426842e+08,
1.71708263e+09]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 2.77555756e-17, -7.63278329e-17,
0.00000000e+00, 1.18893570e-02, 1.82134730e-01,
1.20527581e-03]))
('penalty', 0.1)
('old_driving_force', -18113395.450568698, 0.18213473013649917)
('sublsum', 18073654.300339133)
(1.0, -12180225.312928654, 0.0065339068403815204)
(0.5, -9967220.3755013123, 0.092643945260308169)
(0.25, -13661054.387403378, 0.1370926995897257)
(0.125, -15870706.646402059, 0.15949080186627462)
(0.0625, -16987921.522505168, 0.17078203775217737)
(0.03125, -17549626.115653001, 0.17645070188203593)
(0, -18113395.450568698, 0.18213473013649917)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('step', array([ -5.11640536e-02, 2.32205968e-03, 4.88419939e-02,
4.10110721e-06, 1.08231472e-01, -1.08235573e-01,
7.85407709e-02, -9.22647109e-02, 1.37239399e-02,
0.00000000e+00, -7.81149906e-02, -1.17114372e-01]))
('conv_angle', 92.7570007567072)
('Site fractions', array([ 9.48264375e-01, 5.27649245e-04, 5.12079754e-02,
1.49433241e-10, 9.48792024e-01, 5.12079754e-02,
5.67947814e-02, 8.91997243e-01, 5.12079754e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.44145768, 0.75377169]))
('Chemical potentials', array([ -3.76727601e+08, 1.12426842e+08, 1.71708263e+09]))
('Chem pot progress', array([ 2.10729212e+09, -8.61788135e+08, -9.19138761e+09]))
('Energy progress', 0.0)
('Driving force', -75181707.436631456)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('reduced_hessian eigenvalues', array([ -8.38162843e+08, 1.40940152e+04, 2.19466179e+06,
1.02871578e+09, 4.65025855e+12]))
('reduced_hessian modified eigenvalues', array([ 1.40940154e+04, 2.19466179e+06, 8.38162843e+08,
1.02871578e+09, 4.65025855e+12]))
('NEW_L_MULTIPLIERS', array([ 2.52021831e+06, 2.45775437e+06, 1.87275883e+05,
1.67016762e+07, -5.78455999e+07, 1.26771180e+07,
2.72411123e+08]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 2.77555756e-17, -7.63278329e-17,
0.00000000e+00, 1.18893570e-02, 1.82134730e-01,
1.20527581e-03]))
('penalty', 0.01)
('old_driving_force', -1995580.6878507626, 0.18213473013649917)
('sublsum', 1955857.8475574222)
(1.0, -1857596.5170020573, 0.00655382297882523)
(0.5, -1096877.1511430365, 0.092845018922857236)
(0.25, -1513255.1666431143, 0.13709615699726796)
(0.125, -1752758.0278633763, 0.15949166621816024)
(0.0625, -1873754.4335096099, 0.17078225384014878)
(0.03125, -1934563.8408153176, 0.17645075590402881)
(0, -1995580.6878507626, 0.18213473013649917)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('step', array([ -5.26057244e-02, 2.32330539e-03, 5.02824190e-02,
5.06967309e-07, 1.05434989e-01, -1.05435496e-01,
7.81734069e-02, -9.07883068e-02, 1.26148999e-02,
0.00000000e+00, -7.68954021e-02, -1.18333961e-01]))
('conv_angle', 91.917769897961179)
('Site fractions', array([ 9.48264375e-01, 5.27649245e-04, 5.12079754e-02,
1.49433241e-10, 9.48792024e-01, 5.12079754e-02,
5.67947814e-02, 8.91997243e-01, 5.12079754e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.44145768, 0.75377169]))
('Chemical potentials', array([ -5.78455999e+07, 1.26771180e+07, 2.72411123e+08]))
('Chem pot progress', array([ 3.18882001e+08, -9.97497243e+07, -1.44467150e+09]))
('Energy progress', 0.0)
('Driving force', -8394696.4464116003)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63217625 0.31661577 0.05120798], NP=0.44145767693549665), CompositionSet(BCC_A2, [ 0.05679478 0.89199724 0.05120798], NP=0.7537716860210228)])
('reduced_hessian eigenvalues', array([ -1.34369666e+08, 1.42165560e+04, 2.16904947e+06,
1.62656697e+08, 4.65029927e+12]))
('reduced_hessian modified eigenvalues', array([ 1.42165558e+04, 2.16904947e+06, 1.34369666e+08,
1.62656697e+08, 4.65029927e+12]))
('NEW_L_MULTIPLIERS', array([ 3.10748130e+05, 2.99002339e+05, 2.12185596e+04,
2.22012738e+06, -8.99675539e+06, 1.34399247e+06,
4.34502084e+07]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 2.77555756e-17, -7.63278329e-17,
0.00000000e+00, 1.18893570e-02, 1.82134730e-01,
1.20527581e-03]))
('penalty', 0.001)
('old_driving_force', -236245.22400008276, 0.18213473013649917)
('sublsum', 196537.63814886753)
(1.0, -315266.1584348763, 0.0065710365623684042)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5964233 0.33519531 0.06838141], NP=0.3655250076884842), CompositionSet(BCC_A2, [ 0.13463309 0.80240176 0.06296515], NP=0.6344749923115159)])
('step', array([ -5.36294540e-02, 2.26531832e-03, 5.13641357e-02,
6.45837673e-08, 1.03205243e-01, -1.03205308e-01,
7.78383125e-02, -8.95954823e-02, 1.17571698e-02,
0.00000000e+00, -7.59326692e-02, -1.19296694e-01]))
('conv_angle', 91.22502527884609)
('Site fractions', array([ 8.94634921e-01, 2.79296757e-03, 1.02572111e-01,
6.47332005e-08, 1.00000000e+00, 1.00000000e-12,
1.34633094e-01, 8.02401761e-01, 6.29651452e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.36552501, 0.63447499]))
('Chemical potentials', array([ -8996755.39230058, 1343992.46974831, 43450208.36653113]))
('Chem pot progress', array([ 4.88488445e+07, -1.13331256e+07, -2.28960914e+08]))
('Energy progress', 6949.030854858698)
('Driving force', -979999.72541246237)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5964233 0.33519531 0.06838141], NP=0.3655250076884842), CompositionSet(BCC_A2, [ 0.13463309 0.80240176 0.06296515], NP=0.6344749923115159)])
('reduced_hessian eigenvalues', array([ -2.09593114e+07, 3.26770954e+05, 2.41974441e+07,
6.68424872e+09, 3.95955078e+14]))
('reduced_hessian modified eigenvalues', array([ 3.26770963e+05, 2.09593114e+07, 2.41974441e+07,
6.68424872e+09, 3.95955078e+14]))
('NEW_L_MULTIPLIERS', array([-114562.55972445, -49183.14751643, -62827.37443267,
91795.11219499, -93244.5871422 , 268735.26492399,
403797.61362518]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 6.47342006e-08, 1.24900090e-16,
0.00000000e+00, -6.57103656e-03, 1.62611999e-03,
4.94492446e-03]))
('penalty', 10000)
('old_driving_force', -42019.672589808739, 0.0065710365623684042)
('sublsum', 3059.0076566843536)
(1.0, -39116.604904641914, 8.1792111799761091e-05)
(0.5, -40561.557464312034, 0.0033058311262357254)
(0.25, -41289.096084144578, 0.0049332909992447216)
(0.125, -41654.032485082156, 0.0057508810271970079)
(0.0625, -41836.770514591422, 0.0061606410640350218)
(0.03125, -41928.203007318349, 0.0063657623381696005)
(0, -42019.672589808739, 0.0065710365623684042)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5964233 0.33519531 0.06838141], NP=0.3655250076884842), CompositionSet(BCC_A2, [ 0.13463309 0.80240176 0.06296515], NP=0.6344749923115159)])
('step', array([ -6.34026718e-03, 6.47631275e-03, -1.36045573e-04,
-4.63339337e-06, 4.56844318e-06, 2.15991770e-10,
7.81560852e-03, -1.57583393e-05, -7.79985019e-03,
0.00000000e+00, 6.83819271e-03, -6.83819286e-03]))
('conv_angle', 110.6328340125071)
('Site fractions', array([ 8.94634921e-01, 2.79296757e-03, 1.02572111e-01,
6.47332005e-08, 1.00000000e+00, 1.00000000e-12,
1.34633094e-01, 8.02401761e-01, 6.29651452e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.36552501, 0.63447499]))
('Chemical potentials', array([ -93244.5871422 , 268735.26492399, 403797.61362518]))
('Chem pot progress', array([ 8903510.80515838, -1075257.20482432, -43046410.75290594]))
('Energy progress', 0.0)
('Driving force', -206776.34893664331)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5964233 0.33519531 0.06838141], NP=0.3655250076884842), CompositionSet(BCC_A2, [ 0.13463309 0.80240176 0.06296515], NP=0.6344749923115159)])
('reduced_hessian eigenvalues', array([ -1.42324227e+05, 2.84836681e+05, 3.72406670e+05,
6.68459035e+09, 3.95955078e+14]))
('reduced_hessian modified eigenvalues', array([ 1.42324187e+05, 2.84836642e+05, 3.72406643e+05,
6.68459035e+09, 3.95955078e+14]))
('NEW_L_MULTIPLIERS', array([ -3184.09086667, -10088.57956859, 6079.90900226, -14165.01009151,
-42754.08224777, -33947.09781531, -48024.32458881]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 6.47342006e-08, 1.24900090e-16,
0.00000000e+00, -6.57103656e-03, 1.62611999e-03,
4.94492446e-03]))
('penalty', 1000.0)
('old_driving_force', -39079.75628363515, 0.0065710365623684042)
('sublsum', -34.311709419882447)
(1.0, -39107.920184906958, 6.5598200536753914e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5940818 0.34231604 0.06360216], NP=0.3734447324129966), CompositionSet(BCC_A2, [ 0.14057448 0.80156835 0.05785717], NP=0.6265552674161111)])
('step', array([ -3.51232707e-03, 1.06812025e-02, -7.16887545e-03,
1.52409506e-07, -2.17173998e-07, 3.02913846e-11,
5.94138826e-03, -8.33410326e-04, -5.10797793e-03,
0.00000000e+00, 7.91972472e-03, -7.91972490e-03]))
('conv_angle', 84.532462246297158)
('Site fractions', array([ 8.91122594e-01, 1.34741701e-02, 9.54032357e-02,
2.17142706e-07, 9.99999783e-01, 3.12913846e-11,
1.40574482e-01, 8.01568351e-01, 5.78571672e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.37344473, 0.62655527]))
('Chemical potentials', array([-42754.08224777, -33947.09781531, -48024.32458881]))
('Chem pot progress', array([ 50490.50489444, -302682.3627393 , -451821.93821399]))
('Energy progress', -2.8711455768279848)
('Driving force', -1586.1547853567463)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5940818 0.34231604 0.06360216], NP=0.3734447324129966), CompositionSet(BCC_A2, [ 0.14057448 0.80156835 0.05785717], NP=0.6265552674161111)])
('reduced_hessian eigenvalues', array([ 6.05486641e+03, 1.57425141e+04, 8.19208278e+04,
2.03295371e+09, 1.86228119e+13]))
('NEW_L_MULTIPLIERS', array([ -2587.13132992, -9137.89591499, 5281.37552594, -16551.75287844,
-42017.80462929, -37041.32362454, -48868.6790227 ]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -2.92694629e-17, -2.08166817e-17,
0.00000000e+00, -6.55982005e-05, 6.29945963e-05,
2.60343332e-06]))
('penalty', 10000)
('old_driving_force', -39106.494002622196, 6.5598200536753914e-05)
('sublsum', -176.92201198947055)
(1.0, -39184.160498105957, 0.00032175923272108331)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.62478801 0.35328468 0.02192731], NP=0.37828571420006707), CompositionSet(BCC_A2, [ 0.11887345 0.79847853 0.08264802], NP=0.621714285799933)])
('step', array([ 4.60590982e-02, 1.64531748e-02, -6.25122730e-02,
4.30058338e-07, -4.30590538e-07, 5.32200155e-10,
-2.17010297e-02, -3.08982059e-03, 2.47908502e-02,
0.00000000e+00, 4.84098179e-03, -4.84098162e-03]))
('conv_angle', 82.456397569429271)
('Site fractions', array([ 9.37181692e-01, 2.99273449e-02, 3.28909627e-02,
6.47201044e-07, 9.99999352e-01, 5.63491540e-10,
1.18873453e-01, 7.98478530e-01, 8.26480175e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.37828571, 0.62171429]))
('Chemical potentials', array([-42017.80462929, -37041.32362454, -48868.6790227 ]))
('Chem pot progress', array([ 736.27761848, -3094.22580923, -844.3544339 ]))
('Energy progress', -80.54236542516446)
('Driving force', 103.07837713977642)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.62478801 0.35328468 0.02192731], NP=0.37828571420006707), CompositionSet(BCC_A2, [ 0.11887345 0.79847853 0.08264802], NP=0.621714285799933)])
('reduced_hessian eigenvalues', array([ 5.95484007e+03, 2.02976397e+04, 5.40429999e+04,
6.90667141e+08, 1.04628725e+12]))
('NEW_L_MULTIPLIERS', array([ -2681.04942595, -9314.72253016, 5072.31046479, -16237.30943677,
-41918.43314834, -36896.11565574, -49497.10740128]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 6.44274159e-17, -2.77555756e-17,
0.00000000e+00, 2.53702483e-04, 6.80567494e-05,
-3.21759233e-04]))
('penalty', 10000)
('old_driving_force', -39184.3977939127, 0.00032175923272108331)
('sublsum', -17.066896090370602)
(1.0, -39195.906647102674, 0.00021546913702435999)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60750574 0.36296112 0.02953315], NP=0.39082061217203307), CompositionSet(BCC_A2, [ 0.11878072 0.8014573 0.07976198], NP=0.6091793878279671)])
('step', array([ -2.59237362e-02, 1.45149846e-02, 1.14087517e-02,
6.54155760e-07, -6.62295904e-07, 8.14014353e-09,
-9.27322274e-05, 2.97877242e-03, -2.88604019e-03,
0.00000000e+00, 1.25348980e-02, -1.25348980e-02]))
('conv_angle', 87.870047982183806)
('Site fractions', array([ 9.11257956e-01, 4.44423294e-02, 4.42997144e-02,
1.30135680e-06, 9.99998690e-01, 8.70363507e-09,
1.18780720e-01, 8.01457302e-01, 7.97619773e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.39082061, 0.60917939]))
('Chemical potentials', array([-41918.43314834, -36896.11565574, -49497.10740128]))
('Chem pot progress', array([ 99.37148095, 145.2079688 , -628.42837857]))
('Energy progress', -12.738422417052789)
('Driving force', 8.8775533355219522)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60750574 0.36296112 0.02953315], NP=0.39082061217203307), CompositionSet(BCC_A2, [ 0.11878072 0.8014573 0.07976198], NP=0.6091793878279671)])
('reduced_hessian eigenvalues', array([ 5.42272620e+03, 1.56550821e+04, 4.07021074e+04,
3.53507468e+08, 6.98587146e+10]))
('NEW_L_MULTIPLIERS', array([ -2700.70378221, -9332.25727474, 5056.38442659, -16177.54430123,
-41874.11642891, -36898.65488358, -49561.3190175 ]))
('L_CONSTRAINTS', array([ 3.46944695e-17, -7.45130930e-17, 4.16333634e-17,
0.00000000e+00, -2.15469137e-04, 8.39545250e-05,
1.31514612e-04]))
('penalty', 10000)
('old_driving_force', -39195.888440271912, 0.00021546913702435999)
('sublsum', -0.57026355717141963)
(1.0, -39200.321862433753, 8.3929676638061501e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60426065 0.36546427 0.03027508], NP=0.39292127389324166), CompositionSet(BCC_A2, [ 0.11953103 0.80122567 0.07924331], NP=0.6070787261067584)])
('step', array([ -4.86782905e-03, 3.75497800e-03, 1.11285106e-03,
3.95804655e-07, -4.94463954e-07, 9.86592986e-08,
7.50304865e-04, -2.31633722e-04, -5.18671142e-04,
0.00000000e+00, 2.10066172e-03, -2.10066172e-03]))
('conv_angle', 89.558937291103831)
('Site fractions', array([ 9.06390127e-01, 4.81973074e-02, 4.54125654e-02,
1.69716146e-06, 9.99998195e-01, 1.07362934e-07,
1.19531025e-01, 8.01225669e-01, 7.92433061e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.39292127, 0.60707873]))
('Chemical potentials', array([-41874.11642891, -36898.65488358, -49561.3190175 ]))
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('Driving force', 9.4587448984384537e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.11947741 0.80142705 0.07909554], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.11947743 0.80142707 0.0790955 ], NP=1.0), -5.820766091346741e-11), (CompositionSet(BCC_A2, [ 0.11947742 0.80142704 0.07909554], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.11947739 0.80142713 0.07909548], NP=1.0), -1.964508555829525e-10), (CompositionSet(BCC_A2, [ 0.11947736 0.80142708 0.07909556], NP=1.0), -1.0186340659856796e-10)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.60398717 0.36547833 0.03053449], NP=1.0), -2.3283064365386963e-10)], 'HCP_A3': []})
No progress
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.3300210614910138), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.023143546964763034), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.6468353915442233)])
('reduced_hessian eigenvalues', array([ -7.35907386e+01, 5.18107688e+03, 7.50142792e+03,
3.87819720e+13, 1.16311466e+14, 1.81123694e+14,
5.35759075e+14, 6.71050858e+14]))
('reduced_hessian modified eigenvalues', array([ 7.35810512e+01, 5.18114899e+03, 7.50145354e+03,
3.87819720e+13, 1.16311466e+14, 1.81123694e+14,
5.35759075e+14, 6.71050858e+14]))
('NEW_L_MULTIPLIERS', array([ 882.07376011, 3346.06651545, -14950.74831091, 68249.79049706,
26522.69702 , -85844.23937248, -41098.87167985, -37052.83470784,
-61092.8246667 ]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.99922887e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 1.38777878e-17]))
('penalty', 10000)
('old_driving_force', -39109.98151750322, 1.9992288680364425e-16)
('sublsum', -1052.2588936734769)
(1.0, -31053.849867235371, 0.37000000000142952)
(0.5, -33066.321861742501, 0.41075578850350636)
(0.25, -34630.102171331346, 0.34487358063807927)
(0.125, -36423.00398115741, 0.2620781347642156)
(0.0625, -37986.013861590822, 0.11328240706679582)
(0.03125, -38689.497989977506, 0.043523208343167807)
(0, -39109.98151750322, 1.9992288480354738e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.3300210614910138), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.023143546964763034), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.6468353915442233)])
('step', array([ -3.32753847e-02, 3.32753847e-02, -1.65332846e-11,
-8.11208194e-12, 2.18513166e-11, -1.37390625e-11,
-2.84333675e-09, 5.80110644e-09, -2.95776941e-09,
0.00000000e+00, -1.98692098e-01, 6.25175506e-01,
-4.26483408e-01, 0.00000000e+00, -4.65270958e-01,
-2.08385708e+00, 2.54912803e+00]))
('conv_angle', 89.851025711704608)
('Site fractions', array([ 8.88888889e-01, 1.11111111e-01, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.61450602e-01, 7.30330211e-01,
1.08219187e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.33002106, 0.02314355, 0.64683539]))
('Chemical potentials', array([-41098.87167985, -37052.83470784, -61092.8246667 ]))
('Chem pot progress', array([ 288.53890869, -305.77797002, -10476.93043644]))
('Energy progress', 0.0)
('Driving force', 839.46357906065532)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.3300210614910138), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.023143546964763034), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.6468353915442233)])
('reduced_hessian eigenvalues', array([ -2.04063116e+03, 5.27131257e+03, 7.14917405e+03,
3.87819720e+13, 1.16311466e+14, 1.81123694e+14,
5.35759075e+14, 6.71050858e+14]))
('reduced_hessian modified eigenvalues', array([ 2.04063928e+03, 5.27147051e+03, 7.14923394e+03,
3.87819720e+13, 1.16311466e+14, 1.81123694e+14,
5.35759075e+14, 6.71050858e+14]))
('NEW_L_MULTIPLIERS', array([ -2225.97562661, -8069.49335971, -372.27539018, 1615.81315491,
6198.95237778, -19453.72439344, -42135.06171285, -36994.64884315,
-46938.80534914]))
('L_CONSTRAINTS', array([ -1.86045097e-16, -1.99922885e-16, -1.99922885e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 1.38777878e-17]))
('penalty', 1000.0)
('old_driving_force', -39109.981517503227, 1.9992288480354738e-16)
('sublsum', -221.75953672148981)
(1.0, -39062.144146392311, 0.056296714637869671)
(0.5, -39170.254982307328, 0.014426681230863103)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 6.31709581e-01 3.68290419e-01 1.74016296e-11], NP=0.32601291940189375), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13515625 0.76333322 0.10151053], NP=0.6869336134386199)])
('step', array([ 1.17350965e-01, -1.17350965e-01, 3.50639940e-11,
1.94917505e-11, -4.77734130e-11, 2.82817896e-11,
-6.81305037e-11, 1.31380384e-10, -6.32497207e-11,
0.00000000e+00, -5.25887017e-02, 6.60060163e-02,
-1.34173146e-02, 0.00000000e+00, -8.01628418e-03,
-7.21801596e-02, 8.01964438e-02]))
('conv_angle', 88.683176945388169)
('Site fractions', array([ 9.47564371e-01, 5.24356288e-02, 1.85319970e-11,
1.07458752e-11, 1.00000000e+00, 1.51408948e-11,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.35156251e-01, 7.63333219e-01,
1.01510529e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.26012919e-01, 1.00000000e-12, 6.86933613e-01]))
('Chemical potentials', array([-42135.06171285, -36994.64884315, -46938.80534914]))
('Chem pot progress', array([ -1036.190033 , 58.18586469, 14154.01931757]))
('Energy progress', -546.2319246533007)
('Driving force', 46.701847551958053)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.31709581e-01 3.68290419e-01 1.74016296e-11], NP=0.32601291940189375), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13515625 0.76333322 0.10151053], NP=0.6869336134386199)])
('reduced_hessian eigenvalues', array([ -9.41238357e+04, 5.02060514e+03, 6.96219479e+03,
1.30803295e+04, 9.82323064e+04, 1.97138634e+13,
5.15030597e+13, 6.30212798e+13]))
('reduced_hessian modified eigenvalues', array([ 5.02060767e+03, 6.96219595e+03, 1.30803240e+04,
9.41238354e+04, 9.82323084e+04, 1.97138634e+13,
5.15030597e+13, 6.30212798e+13]))
('NEW_L_MULTIPLIERS', array([ -2404.29388115, -8075.26350045, 962.80955061, 313.40471548,
5566.35884018, -18487.44871498, -41598.81245058, -36230.18883845,
-47929.54145887]))
('L_CONSTRAINTS', array([ -1.02480572e-16, -1.04762068e-16, 1.99997788e-12,
0.00000000e+00, 2.77555756e-17, 0.00000000e+00,
-1.21114316e-03, 1.44266812e-02, -2.69005228e-04]))
('penalty', 10000)
('old_driving_force', -39037.739175078001, 0.014426681230863103)
('sublsum', 4.3591413754949064)
(1.0, -39099.267999292199, 0.0094591368941767673)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.40862233e-01 3.59137766e-01 3.76475242e-10], NP=0.32866658647048225), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13133572 0.76586053 0.10280375], NP=0.6808322585262848)])
('step', array([ 1.37289788e-02, -1.37289792e-02, 4.05590251e-10,
1.23631109e-10, -3.89671350e-10, 2.66040337e-10,
-3.77871489e-03, 8.51276960e-03, -4.73405471e-03,
0.00000000e+00, -3.82052999e-03, 2.52730913e-03,
1.29322086e-03, 0.00000000e+00, 2.65366707e-03,
-9.49884500e-03, -6.10135491e-03]))
('conv_angle', 90.259043174530888)
('Site fractions', array([ 9.61293350e-01, 3.87066496e-02, 4.24122248e-10,
1.34376985e-10, 1.00000000e+00, 2.81181231e-10,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.31335721e-01, 7.65860528e-01,
1.02803750e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.28666586e-01, 1.00000000e-12, 6.80832259e-01]))
('Chemical potentials', array([-41598.81245058, -36230.18883845, -47929.54145887]))
('Chem pot progress', array([ 536.24926227, 764.4600047 , -990.73610973]))
('Energy progress', 117.49101099475229)
('Driving force', -534.68365173718485)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.40862233e-01 3.59137766e-01 3.76475242e-10], NP=0.32866658647048225), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13133572 0.76586053 0.10280375], NP=0.6808322585262848)])
('reduced_hessian eigenvalues', array([ -9.34413648e+04, 5.02330733e+03, 7.30096657e+03,
1.79372049e+04, 9.74340328e+04, 1.18166737e+12,
2.27331724e+12, 4.55054790e+12]))
('reduced_hessian modified eigenvalues', array([ 5.02330729e+03, 7.30096658e+03, 1.79372053e+04,
9.34413648e+04, 9.74340328e+04, 1.18166737e+12,
2.27331724e+12, 4.55054790e+12]))
('NEW_L_MULTIPLIERS', array([ -2386.44618936, -8059.92097595, 697.87526661, 229.2249377 ,
5600.61280765, -18256.30628128, -41546.35569557, -36477.68860477,
-47963.49254251]))
('L_CONSTRAINTS', array([ -3.79705424e-17, 4.19846959e-17, 1.99997788e-12,
0.00000000e+00, 1.38777878e-17, 0.00000000e+00,
4.75985021e-05, 9.45913689e-03, -7.89039848e-06]))
('penalty', 10000)
('old_driving_force', -39096.929629871294, 0.0094591368941767673)
('sublsum', 3.4424023836718152)
(1.0, -39121.639329130267, 0.0068724413037233312)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39541314e-01 3.60458679e-01 7.02220229e-09], NP=0.32954840613988584), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13175105 0.7649032 0.10334575], NP=0.677319507497789)])
('step', array([ -1.98137939e-03, 1.98137147e-03, 7.91389307e-09,
1.20723804e-09, -5.31663306e-09, 4.10939498e-09,
-2.48061776e-03, 5.54131271e-03, -3.06069495e-03,
0.00000000e+00, 4.15327364e-04, -9.57328993e-04,
5.42001629e-04, 0.00000000e+00, 8.81819669e-04,
-6.86791364e-03, -3.51275103e-03]))
('conv_angle', 90.562554107313829)
('Site fractions', array([ 9.59311971e-01, 4.06880211e-02, 8.33801532e-09,
1.34161502e-09, 9.99999994e-01, 4.39057622e-09,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.31751049e-01, 7.64903199e-01,
1.03345752e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.29548406e-01, 1.00000000e-12, 6.77319507e-01]))
('Chemical potentials', array([-41546.35569557, -36477.68860477, -47963.49254251]))
('Chem pot progress', array([ 52.45675502, -247.49976632, -33.95108364]))
('Energy progress', 97.82296413282165)
('Driving force', -388.11401118359208)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39541314e-01 3.60458679e-01 7.02220229e-09], NP=0.32954840613988584), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13175105 0.7649032 0.10334575], NP=0.677319507497789)])
('reduced_hessian eigenvalues', array([ -9.34546670e+04, 5.02347868e+03, 7.18568481e+03,
1.70552459e+04, 9.75256456e+04, 8.08147519e+10,
1.16140396e+11, 4.27561360e+11]))
('reduced_hessian modified eigenvalues', array([ 5.02347867e+03, 7.18568481e+03, 1.70552458e+04,
9.34546670e+04, 9.75256456e+04, 8.08147519e+10,
1.16140396e+11, 4.27561360e+11]))
('NEW_L_MULTIPLIERS', array([ -2377.86943655, -8039.59486279, 562.70351424, 184.0222955 ,
5624.45646715, -18160.39801259, -41515.48585986, -36606.87523384,
-47984.09345974]))
('L_CONSTRAINTS', array([ -3.97865818e-17, 9.08551089e-17, 1.99997788e-12,
0.00000000e+00, 2.77555756e-17, 0.00000000e+00,
-2.62375414e-06, 6.87244130e-03, -1.90391091e-06]))
('penalty', 10000)
('old_driving_force', -39120.751459831954, 0.0068724413037233312)
('sublsum', 1.4581322224295665)
(1.0, -39133.480461656938, 0.005534739812958489)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39665328e-01 3.60334561e-01 1.11153450e-07], NP=0.3292557182049054), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13217347 0.76431917 0.10350737], NP=0.6762783772243655)])
('step', array([ 1.86016118e-04, -1.86146344e-04, 1.30225603e-07,
8.95576359e-09, -6.08983000e-08, 5.19425363e-08,
-1.77337144e-03, 3.99699991e-03, -2.22362848e-03,
0.00000000e+00, 4.22416977e-04, -5.84033447e-04,
1.61616470e-04, 0.00000000e+00, -2.92687935e-04,
-5.53409543e-03, -1.04113027e-03]))
('conv_angle', 90.408524687416445)
('Site fractions', array([ 9.59497987e-01, 4.05018748e-02, 1.38563618e-07,
1.02973786e-08, 9.99999933e-01, 5.63331125e-08,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32173466e-01, 7.64319166e-01,
1.03507368e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.29255718e-01, 1.00000000e-12, 6.76278377e-01]))
('Chemical potentials', array([-41515.48585986, -36606.87523384, -47984.09345974]))
('Chem pot progress', array([ 30.86983571, -129.18662907, -20.60091723]))
('Energy progress', 49.483474101885804)
('Driving force', -312.97060617282841)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39665328e-01 3.60334561e-01 1.11153450e-07], NP=0.3292557182049054), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13217347 0.76431917 0.10350737], NP=0.6762783772243655)])
('reduced_hessian eigenvalues', array([ -9.34590045e+04, 5.02357785e+03, 7.13886820e+03,
1.70986137e+04, 9.75731877e+04, 6.44122579e+09,
7.10348888e+09, 5.34430258e+10]))
('reduced_hessian modified eigenvalues', array([ 5.02357785e+03, 7.13886820e+03, 1.70986137e+04,
9.34590045e+04, 9.75731877e+04, 6.44122579e+09,
7.10348888e+09, 5.34430258e+10]))
('NEW_L_MULTIPLIERS', array([ -2372.95900715, -8029.93377661, 495.88075691, 161.7606431 ,
5636.18093668, -18112.38560837, -41501.00561285, -36670.77329819,
-47993.82415093]))
('L_CONSTRAINTS', array([ -3.20832258e-18, 3.89218257e-17, 1.99997788e-12,
0.00000000e+00, -2.77555756e-17, 0.00000000e+00,
-4.76088418e-07, 5.53473981e-03, -1.68294269e-07]))
('penalty', 10000)
('old_driving_force', -39133.126797239805, 0.005534739812958489)
('sublsum', 0.63299704866915207)
(1.0, -39139.468641811603, 0.0048742464878909209)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39714188e-01 3.60284342e-01 1.46970469e-06], NP=0.32912860471236394), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13237476 0.76403672 0.10358852], NP=0.675745484877732)])
('step', array([ 7.32667974e-05, -7.50428897e-05, 1.77609234e-06,
4.79063944e-08, -5.71375426e-07, 5.23469031e-07,
-1.42390533e-03, 3.23442931e-03, -1.81052398e-03,
0.00000000e+00, 2.01297004e-04, -2.82445957e-04,
8.11489527e-05, 0.00000000e+00, -1.27113493e-04,
-4.87408959e-03, -5.32892347e-04]))
('conv_angle', 90.25996020918663)
('Site fractions', array([ 9.59571253e-01, 4.04268319e-02, 1.91465596e-06,
5.82037730e-08, 9.99999362e-01, 5.79802144e-07,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32374763e-01, 7.64036720e-01,
1.03588517e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.29128605e-01, 1.00000000e-12, 6.75745485e-01]))
('Chemical potentials', array([-41501.00561285, -36670.77329819, -47993.82415093]))
('Chem pot progress', array([ 14.48024701, -63.89806435, -9.73069118]))
('Energy progress', 24.467722561821574)
('Driving force', -275.75612339665531)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39714188e-01 3.60284342e-01 1.46970469e-06], NP=0.32912860471236394), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13237476 0.76403672 0.10358852], NP=0.675745484877732)])
('reduced_hessian eigenvalues', array([ -9.34607615e+04, 5.02362450e+03, 7.11677874e+03,
1.71157110e+04, 9.75969792e+04, 4.99950036e+08,
6.58714384e+08, 9.22556330e+09]))
('reduced_hessian modified eigenvalues', array([ 5.02362450e+03, 7.11677874e+03, 1.71157109e+04,
9.34607615e+04, 9.75969792e+04, 4.99950036e+08,
6.58714384e+08, 9.22556330e+09]))
('NEW_L_MULTIPLIERS', array([ -2370.56151237, -8026.43061611, 462.8106748 , 150.76966064,
5641.454159 , -18087.22944735, -41495.39041897, -36702.25890114,
-47998.19254101]))
('L_CONSTRAINTS', array([ -2.37537685e-17, 5.61944951e-17, 1.99997788e-12,
0.00000000e+00, 1.38777878e-17, 0.00000000e+00,
-1.13480456e-07, 4.87424649e-03, -4.34163394e-08]))
('penalty', 10000)
('old_driving_force', -39139.315172774419, 0.0048742464878909209)
('sublsum', 0.0053105816110273762)
(1.0, -39142.727939507437, 0.0045473276349885516)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39716877e-01 3.60267290e-01 1.58329933e-05], NP=0.3291233334519546), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1324416 0.76392753 0.10363087], NP=0.675423958984616)])
('step', array([ 3.94825737e-06, -2.34731317e-05, 1.95248744e-05,
1.70381765e-07, -4.21049895e-06, 4.04011718e-06,
-1.25135855e-03, 2.85818149e-03, -1.60682294e-03,
0.00000000e+00, 6.68335637e-05, -1.09190407e-04,
4.23568431e-05, 0.00000000e+00, -5.27126041e-06,
-4.54729244e-03, -3.21525893e-04]))
('conv_angle', 90.00304823655587)
('Site fractions', array([ 9.59575202e-01, 4.04033587e-02, 2.14395303e-05,
2.28585538e-07, 9.99995151e-01, 4.61991933e-06,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32441596e-01, 7.63927529e-01,
1.03630874e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.29123333e-01, 1.00000000e-12, 6.75423959e-01]))
('Chemical potentials', array([-41495.39041897, -36702.25890114, -47998.19254101]))
('Chem pot progress', array([ 5.61519388, -31.48560294, -4.36839008]))
('Energy progress', 11.851055930441362)
('Driving force', -257.28785657306435)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39716877e-01 3.60267290e-01 1.58329933e-05], NP=0.3291233334519546), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1324416 0.76392753 0.10363087], NP=0.675423958984616)])
('reduced_hessian eigenvalues', array([ -9.34626407e+04, 5.02364407e+03, 7.09667986e+03,
1.71194383e+04, 9.76065739e+04, 4.48085008e+07,
8.35203717e+07, 2.31686206e+09]))
('reduced_hessian modified eigenvalues', array([ 5.02364407e+03, 7.09667986e+03, 1.71194383e+04,
9.34626407e+04, 9.76065739e+04, 4.48085008e+07,
8.35203717e+07, 2.31686206e+09]))
('NEW_L_MULTIPLIERS', array([ -2369.72866554, -8033.04488074, 446.59316577, 145.39053154,
5640.63002703, -18065.89051086, -41502.67177725, -36716.35532479,
-47998.41627606]))
('L_CONSTRAINTS', array([ -4.64140174e-17, -4.44599124e-17, 1.99997788e-12,
0.00000000e+00, 1.38777878e-17, 0.00000000e+00,
-2.15028897e-08, 4.54732763e-03, -1.36945283e-08]))
('penalty', 10000)
('old_driving_force', -39142.663838610184, 0.0045473276349885516)
('sublsum', -1.9482853037218231)
(1.0, -39145.943137361959, 0.0043870765353482)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39552380e-01 3.60312850e-01 1.34770315e-04], NP=0.329499781112558), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13227046 0.76407428 0.10365526], NP=0.6748873570174101)])
('step', array([ -2.46924986e-04, 7.98420737e-05, 1.67082913e-04,
3.57543947e-07, -2.30036833e-05, 2.26461394e-05,
-1.17069327e-03, 2.68192887e-03, -1.51123561e-03,
0.00000000e+00, -1.71137015e-04, 1.46750528e-04,
2.43864868e-05, 0.00000000e+00, 3.76447661e-04,
-4.38713813e-03, -5.36601967e-04]))
('conv_angle', 88.45877572176731)
('Site fractions', array([ 9.59328277e-01, 4.04832008e-02, 1.88522443e-04,
5.86129485e-07, 9.99972148e-01, 2.72660587e-05,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32270459e-01, 7.64074280e-01,
1.03655261e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.29499781e-01, 1.00000000e-12, 6.74887357e-01]))
('Chemical potentials', array([-41502.67177725, -36716.35532479, -47998.41627606]))
('Chem pot progress', array([ -7.28135828, -14.09642366, -0.22373505]))
('Energy progress', 4.202472616198065)
('Driving force', -247.81999157191603)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39552380e-01 3.60312850e-01 1.34770315e-04], NP=0.329499781112558), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13227046 0.76407428 0.10365526], NP=0.6748873570174101)])
('reduced_hessian eigenvalues', array([ -9.34637648e+04, 5.02363292e+03, 7.04622153e+03,
1.70917922e+04, 9.76039946e+04, 5.11331326e+06,
1.42546135e+07, 8.98044405e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02363292e+03, 7.04622153e+03, 1.70917922e+04,
9.34637648e+04, 9.76039946e+04, 5.11331326e+06,
1.42546135e+07, 8.98044405e+08]))
('NEW_L_MULTIPLIERS', array([ -2372.22692187, -8075.13969177, 438.6163396 , 142.77336222,
5623.83089267, -18012.5350612 , -41549.71510359, -36716.87868518,
-47994.23504909]))
('L_CONSTRAINTS', array([ 6.28837260e-18, 1.08050911e-16, 1.99997788e-12,
0.00000000e+00, 4.16333634e-17, 0.00000000e+00,
2.99077744e-08, 4.38707654e-03, 3.16878456e-08]))
('penalty', 10000)
('old_driving_force', -39145.940840065407, 0.0043870765353482)
('sublsum', -9.5394693748407597)
(1.0, -39154.266431515141, 0.0043075141544984819)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63853876 0.36058742 0.00087382], NP=0.3314824740418007), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13129029 0.76509921 0.1036105 ], NP=0.6728266078350521)])
('step', array([ -1.52061513e-03, 4.54986462e-04, 1.06562866e-03,
3.69598860e-07, -8.62566990e-05, 8.58871001e-05,
-1.14973294e-03, 2.63420188e-03, -1.48446894e-03,
0.00000000e+00, -9.80166544e-04, 1.02492602e-03,
-4.47594746e-05, 0.00000000e+00, 1.98269293e-03,
-4.30908188e-03, -2.06074918e-03]))
('conv_angle', 81.013650341933896)
('Site fractions', array([ 9.57807662e-01, 4.09381873e-02, 1.25415111e-03,
9.55728345e-07, 9.99885891e-01, 1.13153159e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.31290293e-01, 7.65099206e-01,
1.03610501e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.31482474e-01, 1.00000000e-12, 6.72826608e-01]))
('Chemical potentials', array([-41549.71510359, -36716.87868518, -47994.23504909]))
('Chem pot progress', array([-47.04332634, -0.52336039, 4.18122697]))
('Energy progress', -4.696159219020046)
('Driving force', -241.21269413518894)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63853876 0.36058742 0.00087382], NP=0.3314824740418007), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13129029 0.76509921 0.1036105 ], NP=0.6728266078350521)])
('reduced_hessian eigenvalues', array([ -9.34638529e+04, 5.02354400e+03, 6.89417761e+03,
1.69404187e+04, 9.75676692e+04, 7.80554976e+05,
3.46437807e+06, 5.52120084e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02354400e+03, 6.89417761e+03, 1.69404187e+04,
9.34638529e+04, 9.75676692e+04, 7.80554976e+05,
3.46437807e+06, 5.52120084e+08]))
('NEW_L_MULTIPLIERS', array([ -2387.6862598 , -8214.30766102, 430.20793395, 140.10819644,
5563.52588006, -17846.40682195, -41689.50225118, -36701.2899242 ,
-48004.16215743]))
('L_CONSTRAINTS', array([ -4.07660017e-17, 1.70355266e-17, 1.99997788e-12,
0.00000000e+00, -4.16333634e-17, 0.00000000e+00,
1.01797715e-08, 4.30751415e-03, 1.55754358e-06]))
('penalty', 10000)
('old_driving_force', -39154.333563438791, 0.0043075141544984819)
('sublsum', -28.508639562171361)
(1.0, -39176.263348820874, 0.0042111003043822093)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63435932 0.36150635 0.00413433], NP=0.3381323994551081), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12835164 0.76861875 0.10302961], NP=0.6660962777220906)])
('step', array([ -6.26924474e-03, 1.47900146e-03, 4.79024328e-03,
1.66660987e-07, -2.01206683e-04, 2.01040022e-04,
-1.17463275e-03, 2.68221339e-03, -1.50758065e-03,
0.00000000e+00, -2.93865737e-03, 3.51954558e-03,
-5.80888204e-04, 0.00000000e+00, 6.64992541e-03,
-4.22867718e-03, -6.73033011e-03]))
('conv_angle', 71.067400641591803)
('Site fractions', array([ 9.51538417e-01, 4.24171887e-02, 6.04439439e-03,
1.12238933e-06, 9.99684684e-01, 3.14193180e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.28351635e-01, 7.68618752e-01,
1.03029613e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.38132399e-01, 1.00000000e-12, 6.66096278e-01]))
('Chemical potentials', array([-41689.50225118, -36701.2899242 , -48004.16215743]))
('Chem pot progress', array([-139.78714758, 15.58876098, -9.92710834]))
('Energy progress', -18.56670354812377)
('Driving force', -229.75573872846871)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63435932 0.36150635 0.00413433], NP=0.3381323994551081), CompositionSet(BCC_A2, [ 0.12835164 0.76861875 0.10302961], NP=0.6660962777220906)])
('reduced_hessian eigenvalues', array([ 6.52358324e+03, 1.64180177e+04, 1.72382061e+05,
1.26998319e+06, 4.77420033e+08]))
('NEW_L_MULTIPLIERS', array([ -2406.64427724, -8429.17657501, 5504.10967157, -17201.45960087,
-41812.77840673, -37068.21571071, -48172.10944291]))
('L_CONSTRAINTS', array([ -1.64798730e-17, -2.67797937e-17, 9.71445147e-17,
0.00000000e+00, -8.01483631e-06, 4.21110030e-03,
2.55917101e-05]))
('penalty', 10000)
('old_driving_force', -39174.71487753906, 0.0042111003033821204)
('sublsum', -48.673921357483358)
(1.0, -39247.516052470586, 0.00015833372007141577)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.62352246 0.36304886 0.01342868], NP=0.35114142722552777), CompositionSet(BCC_A2, [ 0.12479719 0.77434421 0.1008586 ], NP=0.6488585727744723)])
('step', array([ -1.62553990e-02, 2.44996299e-03, 1.38054360e-02,
2.24671557e-07, -2.72405769e-04, 2.72181098e-04,
-3.55444535e-03, 5.72545648e-03, -2.17101113e-03,
0.00000000e+00, 1.30090278e-02, -1.72377049e-02]))
('conv_angle', 64.23607543249237)
('Site fractions', array([ 9.35283018e-01, 4.48671517e-02, 1.98498304e-02,
1.34706089e-06, 9.99412279e-01, 5.86374278e-04,
1.24797190e-01, 7.74344208e-01, 1.00858602e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.35114143, 0.64885857]))
('Chemical potentials', array([-41812.77840673, -37068.21571071, -48172.10944291]))
('Chem pot progress', array([-123.27615555, -366.9257865 , -167.94728549]))
('Energy progress', 122.09492937808682)
('Driving force', 18.174353896094544)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.62352246 0.36304886 0.01342868], NP=0.35114142722552777), CompositionSet(BCC_A2, [ 0.12479719 0.77434421 0.1008586 ], NP=0.6488585727744723)])
('reduced_hessian eigenvalues', array([ 5.76911419e+03, 1.53629918e+04, 6.25531938e+04,
7.05010057e+05, 4.12056949e+08]))
('NEW_L_MULTIPLIERS', array([ -2498.9094912 , -8715.04040547, 5340.22920341, -16831.11338753,
-41923.03461457, -37010.92423388, -48458.52897506]))
('L_CONSTRAINTS', array([ -4.51028104e-17, -5.96311195e-17, -5.55111512e-17,
0.00000000e+00, -7.97065035e-05, -7.86272166e-05,
1.58333720e-04]))
('penalty', 10000)
('old_driving_force', -39247.474986068017, 0.00015833372007141577)
('sublsum', -34.572781657896364)
(1.0, -39265.507904605722, 0.00029659739483621494)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60805381 0.36479509 0.02715111], NP=0.36648968748013283), CompositionSet(BCC_A2, [ 0.1214942 0.78324927 0.09525653], NP=0.6335103125198671)])
('step', array([ -2.32031338e-02, 2.70851978e-03, 2.04946141e-02,
3.03305218e-07, -1.78360476e-04, 1.78057171e-04,
-3.30298977e-03, 8.90505740e-03, -5.60206763e-03,
0.00000000e+00, 1.53482603e-02, -1.53482603e-02]))
('conv_angle', 59.440368855954674)
('Site fractions', array([ 9.12079884e-01, 4.75756715e-02, 4.03444445e-02,
1.65036611e-06, 9.99233918e-01, 7.64431449e-04,
1.21494200e-01, 7.83249265e-01, 9.52565342e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.36648969, 0.63351031]))
('Chemical potentials', array([-41923.03461457, -37010.92423388, -48458.52897506]))
('Chem pot progress', array([-110.25620784, 57.29147682, -286.41953214]))
('Energy progress', -21.855309017053514)
('Driving force', 14.449827467869909)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60805381 0.36479509 0.02715111], NP=0.36648968748013283), CompositionSet(BCC_A2, [ 0.1214942 0.78324927 0.09525653], NP=0.6335103125198671)])
('reduced_hessian eigenvalues', array([ 5.20109732e+03, 1.43288860e+04, 3.92249469e+04,
5.62813837e+05, 3.50061271e+08]))
('NEW_L_MULTIPLIERS', array([ -2555.1403397 , -8803.93342852, 5282.31409021, -16696.39061581,
-41878.44951279, -36989.81261622, -48700.98896445]))
('L_CONSTRAINTS', array([ -6.93889390e-18, 5.46437895e-17, 1.38777878e-17,
0.00000000e+00, -1.86721793e-04, -1.09875602e-04,
2.96597395e-04]))
('penalty', 10000)
('old_driving_force', -39265.425346942669, 0.00029659739483621494)
('sublsum', -4.6833111960763265)
(1.0, -39272.711829019841, 5.472403816035587e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60107357 0.36522156 0.03370486], NP=0.371834493237046), CompositionSet(BCC_A2, [ 0.12172204 0.7867064 0.09157156], NP=0.6281655067629541)])
('step', array([ -1.04704589e-02, 6.58137421e-04, 9.81232145e-03,
2.22132404e-07, -3.68463906e-05, 3.66242582e-05,
2.27838765e-04, 3.45713834e-03, -3.68497711e-03,
0.00000000e+00, 5.34480576e-03, -5.34480576e-03]))
('conv_angle', 55.192258109718402)
('Site fractions', array([ 9.01609425e-01, 4.82338089e-02, 5.01567659e-02,
1.87249851e-06, 9.99197072e-01, 8.01055707e-04,
1.21722039e-01, 7.86706404e-01, 9.15715571e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.37183449, 0.62816551]))
('Chemical potentials', array([-41878.44951279, -36989.81261622, -48700.98896445]))
('Chem pot progress', array([ 44.58510178, 21.11161767, -242.45998939]))
('Energy progress', -0.3408701150328852)
('Driving force', 2.3797197819949361)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60107357 0.36522156 0.03370486], NP=0.371834493237046), CompositionSet(BCC_A2, [ 0.12172204 0.7867064 0.09157156], NP=0.6281655067629541)])
('reduced_hessian eigenvalues', array([ 5.03422711e+03, 1.38975988e+04, 3.51074928e+04,
5.44347289e+05, 3.12703253e+08]))
('NEW_L_MULTIPLIERS', array([ -2561.21383485, -8806.48728346, 5279.51218626, -16690.44425119,
-41865.37146075, -36988.80570638, -48732.47021113]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -3.30681663e-17, 9.71445147e-17,
0.00000000e+00, -3.85257374e-05, -1.61983007e-05,
5.47240382e-05]))
('penalty', 10000)
('old_driving_force', -39272.709586087076, 5.472403816035587e-05)
('sublsum', -0.028412970790207426)
(1.0, -39273.81445422746, 1.9266775810877768e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60059244 0.3651967 0.03421086], NP=0.37205536898510927), CompositionSet(BCC_A2, [ 0.12189962 0.78689511 0.09120527], NP=0.6279446310148908)])
('step', array([ -7.21721988e-04, -3.73913064e-05, 7.59113294e-04,
3.40216403e-08, 1.92720962e-07, -2.26742602e-07,
1.77583472e-04, 1.88706814e-04, -3.66290286e-04,
0.00000000e+00, 2.20875748e-04, -2.20875748e-04]))
('conv_angle', 45.449405630779488)
('Site fractions', array([ 9.00887703e-01, 4.81964176e-02, 5.09158792e-02,
1.90652015e-06, 9.99197265e-01, 8.00828965e-04,
1.21899623e-01, 7.86895111e-01, 9.12052668e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.37205537, 0.62794463]))
('Chemical potentials', array([-41865.37146075, -36988.80570638, -48732.47021113]))
('Chem pot progress', array([ 13.07805204, 1.00690983, -31.48124667]))
('Energy progress', 0.4389936122606741)
('Driving force', 0.013640442877658643)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60059244 0.3651967 0.03421086], NP=0.37205536898510927), CompositionSet(BCC_A2, [ 0.12189962 0.78689511 0.09120527], NP=0.6279446310148908)])
('reduced_hessian eigenvalues', array([ 5.02531433e+03, 1.38642118e+04, 3.48742109e+04,
5.44799532e+05, 3.07291220e+08]))
('NEW_L_MULTIPLIERS', array([ -2561.24023892, -8806.46463935, 5279.51682959, -16690.45072764,
-41865.27489817, -36988.80906939, -48732.65892662]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 2.91650384e-17, 0.00000000e+00,
0.00000000e+00, -1.45495300e-07, -4.71724583e-08,
1.92667758e-07]))
('penalty', 10000)
('old_driving_force', -39273.814454177213, 1.9266775810877768e-07)
('sublsum', -5.9025627221604822e-07)
(1.0, -39273.818307777103, 2.5206919884723789e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60059077 0.36519633 0.0342129 ], NP=0.37205467149017485), CompositionSet(BCC_A2, [ 0.12190138 0.78689493 0.09120369], NP=0.6279453285098253)])
('step', array([ -2.50630527e-06, -5.56180743e-07, 3.06248601e-06,
3.85957941e-10, 1.37834688e-08, -1.41694268e-08,
1.75332253e-06, -1.76315063e-07, -1.57700747e-06,
0.00000000e+00, -6.97494934e-07, 6.97494934e-07]))
('conv_angle', 57.80229086413329)
('Site fractions', array([ 9.00885197e-01, 4.81958614e-02, 5.09189417e-02,
1.90690611e-06, 9.99197278e-01, 8.00814795e-04,
1.21901376e-01, 7.86894934e-01, 9.12036898e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.37205467, 0.62794533]))
('Chemical potentials', array([-41865.27489817, -36988.80906939, -48732.65892662]))
('Chem pot progress', array([ 0.09656258, -0.00336301, -0.1887155 ]))
('Energy progress', 0.0015528811782132834)
('Driving force', 2.0412699086591601e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60059077 0.36519633 0.0342129 ], NP=0.37205467149017485), CompositionSet(BCC_A2, [ 0.12190138 0.78689493 0.09120369], NP=0.6279453285098253)])
('reduced_hessian eigenvalues', array([ 5.02422379e+03, 1.38627920e+04, 3.48731165e+04,
5.44810035e+05, 3.07228491e+08]))
('NEW_L_MULTIPLIERS', array([ -2561.24023292, -8806.4646099 , 5279.51684191, -16690.45077946,
-41865.27489636, -36988.80906765, -48732.65894709]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -3.00324002e-17, -1.38777878e-16,
0.00000000e+00, 2.38825626e-12, 1.32449607e-13,
-2.52069199e-12]))
('penalty', 10000)
('old_driving_force', -39273.818307777103, 2.5206919884723789e-12)
('sublsum', -1.2698261148095352e-14)
(1.0, -39273.818307827511, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60059077 0.36519633 0.0342129 ], NP=0.372054670658116), CompositionSet(BCC_A2, [ 0.12190138 0.78689493 0.09120369], NP=0.6279453293418841)])
('step', array([ 1.51021885e-10, -5.89130509e-11, -9.21088341e-11,
4.82772411e-14, -3.32100552e-12, 3.27275831e-12,
5.70821313e-10, -5.35056082e-10, -3.57650931e-11,
0.00000000e+00, -8.32058841e-10, 8.32058736e-10]))
('conv_angle', 81.822309828239796)
('Site fractions', array([ 9.00885197e-01, 4.81958614e-02, 5.09189416e-02,
1.90690616e-06, 9.99197278e-01, 8.00814799e-04,
1.21901376e-01, 7.86894934e-01, 9.12036898e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.37205467, 0.62794533]))
('Chemical potentials', array([-41865.27489636, -36988.80906765, -48732.65894709]))
('Chem pot progress', array([ 1.80202915e-06, 1.73939043e-06, -2.04613534e-05]))
('Energy progress', -1.7957063391804695e-08)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.12190138 0.78689493 0.09120369], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.12190137 0.78689498 0.09120365], NP=1.0), -6.548361852765083e-11), (CompositionSet(BCC_A2, [ 0.12190138 0.78689493 0.09120369], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.12190138 0.78689493 0.09120369], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.12190143 0.78689497 0.09120361], NP=1.0), -3.346940502524376e-10), (CompositionSet(BCC_A2, [ 0.12190138 0.78689493 0.09120369], NP=1.0), 0.0)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.60059079 0.36519632 0.0342129 ], NP=1.0), -3.637978807091713e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.18593504605708586), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.8140649539429143)])
('reduced_hessian eigenvalues', array([ 2.52160100e+03, 1.10354615e+04, 2.48697990e+14,
8.84794476e+14, 1.15734358e+15]))
('NEW_L_MULTIPLIERS', array([ 1745.21845574, -4595.32493575, -6393.10787611, -19256.80267677,
-41191.72582913, -38593.64335909, -42086.34514491]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, -7.57181323e-03, 2.71489661e-02,
-1.95771528e-02]))
('penalty', 10000)
('old_driving_force', -39672.03155149654, 0.027148966065281332)
('sublsum', -161.93089828444468)
(1.0, -40297.414695374049, 0.00092663678133575456)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.17491184 0.59943179 0.22565637], NP=0.17885599379974326), CompositionSet(LAVES_C15, [ 0.59507006 0.33333333 0.0715966 ], NP=0.8211440062002567)])
('step', array([ 1.34612359e-02, -1.30898424e-01, 1.17437188e-01,
0.00000000e+00, 3.71620411e-03, 3.52036074e-11,
-3.71620415e-03, 2.24123504e-11, -5.37272154e-11,
3.13151206e-11, -7.07905226e-03, 7.07905226e-03]))
('conv_angle', 89.516191020621747)
('Site fractions', array([ 1.74911838e-01, 5.99431787e-01, 2.25656374e-01,
1.00000000e+00, 8.92605093e-01, 3.62036074e-11,
1.07394907e-01, 2.34123504e-11, 1.00000000e+00,
3.23151206e-11]))
('Phase fractions', array([ 0.17885599, 0.82114401]))
('Chemical potentials', array([-41191.72582913, -38593.64335909, -42086.34514491]))
('Chem pot progress', array([ 200.81274092, -996.05542361, 2781.98653445]))
('Energy progress', -14.743886037140328)
('Driving force', -22.031008908677904)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.17491184 0.59943179 0.22565637], NP=0.17885599379974326), CompositionSet(LAVES_C15, [ 0.59507006 0.33333333 0.0715966 ], NP=0.8211440062002567)])
('reduced_hessian eigenvalues', array([ 2.13550492e+03, 7.06870601e+03, 7.84093717e+12,
3.61125268e+13, 6.29935576e+13]))
('NEW_L_MULTIPLIERS', array([ 2058.80104103, -5551.45148907, -6141.87377009, -18656.66582918,
-41013.51702832, -38509.45036071, -43858.40672591]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 6.93889390e-17,
8.11023163e-17, -7.77546572e-05, 9.26636781e-04,
-8.48882124e-04]))
('penalty', 10000)
('old_driving_force', -40298.983126537845, 0.00092663678133575456)
('sublsum', -33.153560002311991)
(1.0, -40271.188451119262, 0.0028186648011466475)
(0.5, -40322.870709872761, 0.00028022513821962525)
('alpha', 0.5)
('Phases', [CompositionSet(BCC_A2, [ 0.17441561 0.57009127 0.25549312], NP=0.19683584106643598), CompositionSet(LAVES_C15, [ 0.60442532 0.33333333 0.06224135], NP=0.8031641589335641)])
('step', array([ -9.92452114e-04, -5.86810419e-02, 5.96734940e-02,
0.00000000e+00, 2.80657629e-02, 7.11158374e-10,
-2.80657636e-02, 2.67011694e-10, -8.11502906e-10,
5.44491148e-10, 3.59596945e-02, -3.59596945e-02]))
('conv_angle', 89.806943865766087)
('Site fractions', array([ 1.74415612e-01, 5.70091266e-01, 2.55493121e-01,
1.00000000e+00, 9.06637974e-01, 3.91782794e-10,
9.33620252e-02, 1.56918197e-10, 1.00000000e+00,
3.04560695e-10]))
('Phase fractions', array([ 0.19683584, 0.80316416]))
('Chemical potentials', array([-41013.51702832, -38509.45036071, -43858.40672591]))
('Chem pot progress', array([ 178.20880081, 84.19299838, -1772.061581 ]))
('Energy progress', -16.65270677004446)
('Driving force', 17.985451747408661)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.17441561 0.57009127 0.25549312], NP=0.19683584106643598), CompositionSet(LAVES_C15, [ 0.60442532 0.33333333 0.06224135], NP=0.8031641589335641)])
('reduced_hessian eigenvalues', array([ 3.28212783e+03, 7.99536762e+03, 8.05392961e+11,
3.59500597e+12, 8.49018580e+12]))
('NEW_L_MULTIPLIERS', array([ 1880.08512336, -5176.71817986, -6188.70592557, -18994.71837786,
-41177.38761209, -38307.55375943, -43630.90324543]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 9.71445147e-17,
-1.53916771e-17, -2.16005441e-04, -6.42196968e-05,
2.80225138e-04]))
('penalty', 10000)
('old_driving_force', -40322.956893266295, 0.00028022513821962525)
('sublsum', -3.0525262066400205)
(1.0, -40329.022009251596, 5.2888051935762181e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16504707 0.56667796 0.26827497], NP=0.19994483112282305), CompositionSet(LAVES_C15, [ 0.6086548 0.33333334 0.05801187], NP=0.800055168877177)])
('step', array([ -9.36854292e-03, -3.41330365e-03, 1.27818466e-02,
0.00000000e+00, 6.34421849e-03, 7.11426507e-09,
-6.34422561e-03, 1.57569537e-09, -6.26153078e-09,
4.68583542e-09, 3.10899006e-03, -3.10899006e-03]))
('conv_angle', 89.884526406279321)
('Site fractions', array([ 1.65047069e-01, 5.66677963e-01, 2.68274968e-01,
1.00000000e+00, 9.12982193e-01, 7.50604786e-09,
8.70177996e-02, 1.73261357e-09, 9.99999993e-01,
4.99039611e-09]))
('Phase fractions', array([ 0.19994483, 0.80005517]))
('Chemical potentials', array([-41177.38761209, -38307.55375943, -43630.90324543]))
('Chem pot progress', array([-163.87058377, 201.89660127, 227.50348049]))
('Energy progress', -0.8067537958777393)
('Driving force', 2.122541124583222)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16504707 0.56667796 0.26827497], NP=0.19994483112282305), CompositionSet(LAVES_C15, [ 0.6086548 0.33333334 0.05801187], NP=0.800055168877177)])
('reduced_hessian eigenvalues', array([ 3.60766080e+03, 8.45875652e+03, 4.67171262e+10,
2.09061827e+11, 7.21615532e+11]))
('NEW_L_MULTIPLIERS', array([ 1878.72310317, -5177.65256792, -6191.11129023, -18994.55510615,
-41173.50574891, -38304.85676473, -43640.19340769]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 1.38777878e-17,
1.27668799e-16, -4.22761166e-05, -1.06119354e-05,
5.28880519e-05]))
('penalty', 10000)
('old_driving_force', -40329.021325182577, 5.2888051935762181e-05)
('sublsum', -0.0095584780201769595)
(1.0, -40330.086868519684, 6.195355090055088e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16532719 0.56670798 0.26796482], NP=0.19996441175776983), CompositionSet(LAVES_C15, [ 0.60864849 0.33333339 0.05801813], NP=0.8000355882422303)])
('step', array([ 2.80125423e-04, 3.00188942e-05, -3.10144317e-04,
0.00000000e+00, -9.46986183e-06, 1.14661202e-07,
9.35520063e-06, 1.33057159e-08, -7.64203172e-08,
6.31146012e-08, 1.95806349e-05, -1.95806349e-05]))
('conv_angle', 89.980162716050827)
('Site fractions', array([ 1.65327195e-01, 5.66707982e-01, 2.67964824e-01,
1.00000000e+00, 9.12972723e-01, 1.22167250e-07,
8.70271548e-02, 1.50383295e-08, 9.99999917e-01,
6.81049973e-08]))
('Phase fractions', array([ 0.19996441, 0.80003559]))
('Chemical potentials', array([-41173.50574891, -38304.85676473, -43640.19340769]))
('Chem pot progress', array([ 3.88186318, 2.69699471, -9.29016226]))
('Energy progress', 0.15301098244526656)
('Driving force', 0.00090837032621493563)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16532719 0.56670798 0.26796482], NP=0.19996441175776983), CompositionSet(LAVES_C15, [ 0.60864849 0.33333339 0.05801813], NP=0.8000355882422303)])
('reduced_hessian eigenvalues', array([ 3.60604460e+03, 8.45859218e+03, 3.13527180e+09,
1.46497933e+10, 7.96116047e+10]))
('NEW_L_MULTIPLIERS', array([ 1878.64145704, -5177.44798918, -6191.0554712 , -18994.71464103,
-41173.71050119, -38304.8128791 , -43640.1653907 ]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, -2.77555756e-17,
1.58604537e-17, 5.60856417e-09, 5.86791060e-10,
-6.19535509e-09]))
('penalty', 10000)
('old_driving_force', -40330.086868518389, 6.195355090055088e-09)
('sublsum', -0.087901299894736384)
(1.0, -40330.161838725231, 4.7284010040726798e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16532132 0.56671451 0.26796418], NP=0.1999562077447167), CompositionSet(LAVES_C15, [ 0.6086454 0.33333415 0.05802045], NP=0.8000437922552833)])
('step', array([ -5.87952458e-06, 6.52504468e-06, -6.45520098e-07,
0.00000000e+00, -4.66677863e-06, 1.52546689e-06,
3.14131174e-06, 8.29941779e-08, -7.66367758e-07,
6.83373580e-07, -8.20401305e-06, 8.20401305e-06]))
('conv_angle', 83.965549107705129)
('Site fractions', array([ 1.65321315e-01, 5.66714507e-01, 2.67964178e-01,
1.00000000e+00, 9.12968056e-01, 1.64763414e-06,
8.70302961e-02, 9.80325073e-08, 9.99999150e-01,
7.51478577e-07]))
('Phase fractions', array([ 0.19995621, 0.80004379]))
('Chemical potentials', array([-41173.71050119, -38304.8128791 , -43640.1653907 ]))
('Chem pot progress', array([-0.20475229, 0.04388563, 0.02801699]))
('Energy progress', -0.07486440512002446)
('Driving force', 0.013054077608103398)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16532132 0.56671451 0.26796418], NP=0.1999562077447167), CompositionSet(LAVES_C15, [ 0.6086454 0.33333415 0.05802045], NP=0.8000437922552833)])
('reduced_hessian eigenvalues', array([ 3.60683585e+03, 8.45794840e+03, 2.49545752e+08,
1.27255494e+09, 1.18693364e+10]))
('NEW_L_MULTIPLIERS', array([ 1877.92319629, -5175.61348857, -6190.65442544, -18996.0940382 ,
-41175.3528529 , -38304.48579698, -43639.84388204]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 1.38777878e-17,
2.27768218e-17, 2.29384289e-11, -4.72840100e-11,
2.43455672e-11]))
('penalty', 10000)
('old_driving_force', -40330.161838725187, 4.7284010040726798e-11)
('sublsum', -0.71063369806656351)
(1.0, -40330.753091552142, 3.0084421620557578e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16527341 0.56676449 0.2679621 ], NP=0.1998831166649667), CompositionSet(LAVES_C15, [ 0.60861688 0.33334298 0.05804015], NP=0.8001168833350334)])
('step', array([ -4.79094421e-05, 4.99880180e-05, -2.07857595e-06,
0.00000000e+00, -4.29699256e-05, 1.62887869e-05,
2.66811387e-05, 3.57277758e-07, -6.09406674e-06,
5.73678898e-06, -7.30910798e-05, 7.30910798e-05]))
('conv_angle', 82.764888813717661)
('Site fractions', array([ 1.65273406e-01, 5.66764495e-01, 2.67962100e-01,
1.00000000e+00, 9.12925086e-01, 1.79364210e-05,
8.70569772e-02, 4.55310266e-07, 9.99993056e-01,
6.48826756e-06]))
('Phase fractions', array([ 0.19988312, 0.80011688]))
('Chemical potentials', array([-41175.3528529 , -38304.48579698, -43639.84388204]))
('Chem pot progress', array([-1.6423517 , 0.32708212, 0.32150866]))
('Energy progress', -0.5913244141847827)
('Driving force', 0.119322840582754)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16527341 0.56676449 0.2679621 ], NP=0.1998831166649667), CompositionSet(LAVES_C15, [ 0.60861688 0.33334298 0.05804015], NP=0.8001168833350334)])
('reduced_hessian eigenvalues', array([ 3.60418200e+03, 8.45294909e+03, 2.42583746e+07,
1.41714547e+08, 2.51074066e+09]))
('NEW_L_MULTIPLIERS', array([ 1873.17239605, -5163.30711068, -6188.55526696, -19004.91820997,
-41185.09381152, -38302.7349814 , -43637.53917506]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
1.50483873e-17, 1.41664536e-09, -3.00844216e-09,
1.59179689e-09]))
('penalty', 10000)
('old_driving_force', -40330.753091536739, 3.0084421620557578e-09)
('sublsum', -4.2887678805634595)
(1.0, -40334.21396608161, 8.9030672167922376e-08)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.1649944 0.56702436 0.26798125], NP=0.1993947454839814), CompositionSet(LAVES_C15, [ 0.60841597 0.33342054 0.05816349], NP=0.8006052545160186)])
('step', array([ -2.79007448e-04, 2.59861652e-04, 1.91457964e-05,
0.00000000e+00, -3.01840212e-04, 1.34608804e-04,
1.67231409e-04, 9.60812021e-07, -3.65363747e-05,
3.55755626e-05, -4.88371181e-04, 4.88371181e-04]))
('conv_angle', 80.935203448117562)
('Site fractions', array([ 1.64994398e-01, 5.67024356e-01, 2.67981245e-01,
1.00000000e+00, 9.12623246e-01, 1.52545225e-04,
8.72242086e-02, 1.41612229e-06, 9.99956520e-01,
4.20638302e-05]))
('Phase fractions', array([ 0.19939475, 0.80060525]))
('Chemical potentials', array([-41185.09381152, -38302.7349814 , -43637.53917506]))
('Chem pot progress', array([-9.74095863, 1.75081557, 2.30470698]))
('Energy progress', -3.4629638337137294)
('Driving force', 0.82624573617067654)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1649944 0.56702436 0.26798125], NP=0.1993947454839814), CompositionSet(LAVES_C15, [ 0.60841597 0.33342054 0.05816349], NP=0.8006052545160186)])
('reduced_hessian eigenvalues', array([ 3.59305539e+03, 8.42650517e+03, 2.97576034e+06,
2.11038973e+07, 7.99452997e+08]))
('NEW_L_MULTIPLIERS', array([ 1850.24728887, -5102.79137334, -6181.81536424, -19045.51591422,
-41224.98800098, -38296.89694306, -43625.33528154]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.38777878e-17,
-5.69680479e-17, 3.81422339e-08, -8.90306722e-08,
5.08884383e-08]))
('penalty', 10000)
('old_driving_force', -40334.213964661227, 8.9030672167922376e-08)
('sublsum', -18.12991356557508)
(1.0, -40348.267366092463, 7.3830375674210913e-07)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16389064 0.56782986 0.26827951], NP=0.19700641945313793), CompositionSet(LAVES_C15, [ 0.60736803 0.33391691 0.05871506], NP=0.802993580546862)])
('step', array([ -1.10376318e-03, 8.05502394e-04, 2.98260784e-04,
0.00000000e+00, -1.57260875e-03, 8.21665017e-04,
7.50943736e-04, 1.38785769e-06, -1.54213519e-04,
1.52825661e-04, -2.38832603e-03, 2.38832603e-03]))
('conv_angle', 78.504651063208058)
('Site fractions', array([ 1.63890635e-01, 5.67829859e-01, 2.68279506e-01,
1.00000000e+00, 9.11050637e-01, 9.74210242e-04,
8.79751524e-02, 2.80397997e-06, 9.99802307e-01,
1.94889491e-04]))
('Phase fractions', array([ 0.19700642, 0.80299358]))
('Chemical potentials', array([-41224.98800098, -38296.89694306, -43625.33528154]))
('Chem pot progress', array([-39.89418946, 5.83803834, 12.20389352]))
('Energy progress', -14.06961805379251)
('Driving force', 4.065994862226944)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16389064 0.56782986 0.26827951], NP=0.19700641945313793), CompositionSet(LAVES_C15, [ 0.60736803 0.33391691 0.05871506], NP=0.802993580546862)])
('reduced_hessian eigenvalues', array([ 3.55108294e+03, 8.28464486e+03, 4.74513833e+05,
4.42633094e+06, 4.02636573e+08]))
('NEW_L_MULTIPLIERS', array([ 1773.7207237 , -4895.78049986, -6173.85983731, -19171.94738907,
-41326.72171546, -38288.86388607, -43580.28505686]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -1.38777878e-17,
2.66713734e-17, 1.33316268e-07, -7.38303757e-07,
6.04987489e-07]))
('penalty', 10000)
('old_driving_force', -40348.267373853691, 7.3830375674210913e-07)
('sublsum', -49.368592098308028)
(1.0, -40384.377269795048, 1.1904227381842603e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16128404 0.56854936 0.27016661], NP=0.18889537483704177), CompositionSet(LAVES_C15, [ 0.60352779 0.33610406 0.06036814], NP=0.8111046251629582)])
('step', array([ -2.60660004e-03, 7.19497925e-04, 1.88710211e-03,
0.00000000e+00, -5.76078107e-03, 3.49137554e-03,
2.26940553e-03, 8.67500386e-07, -4.21287805e-04,
4.20420304e-04, -8.11104462e-03, 8.11104462e-03]))
('conv_angle', 75.563543984077029)
('Site fractions', array([ 1.61284035e-01, 5.68549357e-01, 2.70166608e-01,
1.00000000e+00, 9.05289856e-01, 4.46558579e-03,
9.02445579e-02, 3.67148036e-06, 9.99381019e-01,
6.15309796e-04]))
('Phase fractions', array([ 0.18889537, 0.81110463]))
('Chemical potentials', array([-41326.72171546, -38288.86388607, -43580.28505686]))
('Chem pot progress', array([-101.73371448, 8.03305699, 45.05022469]))
('Energy progress', -36.28916713906801)
('Driving force', 13.076720088334696)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16128404 0.56854936 0.27016661], NP=0.18889537483704177), CompositionSet(LAVES_C15, [ 0.60352779 0.33610406 0.06036814], NP=0.8111046251629582)])
('reduced_hessian eigenvalues', array([ 3.43318025e+03, 7.82745731e+03, 9.96018034e+04,
1.37895402e+06, 3.09259821e+08]))
('NEW_L_MULTIPLIERS', array([ 1606.78672411, -4430.45144284, -6196.74675196, -19422.62494973,
-41459.69874087, -38304.07324881, -43469.54628162]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -1.38777878e-17,
-2.64545330e-17, -1.00060402e-05, 1.19042274e-05,
-1.89818714e-06]))
('penalty', 10000)
('old_driving_force', -40384.378209109884, 1.1904227381842603e-05)
('sublsum', -76.633390064183743)
(1.0, -40433.384519549698, 0.00018346218992598695)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.15862099 0.56449868 0.27688033], NP=0.1708312293565716), CompositionSet(LAVES_C15, [ 0.59431109 0.34220953 0.06347938], NP=0.8291687706434284)])
('step', array([ -2.66304229e-03, -4.05067972e-03, 6.71372200e-03,
0.00000000e+00, -1.38251940e-02, 9.50576473e-03,
4.31942932e-03, 2.68856529e-07, -6.95115486e-04,
6.94846630e-04, -1.80641455e-02, 1.80641455e-02]))
('conv_angle', 72.852883441898214)
('Site fractions', array([ 1.58620993e-01, 5.64498677e-01, 2.76880330e-01,
1.00000000e+00, 8.91464662e-01, 1.39713505e-02,
9.45639872e-02, 3.94033689e-06, 9.98685903e-01,
1.31015643e-03]))
('Phase fractions', array([ 0.17083123, 0.82916877]))
('Chemical potentials', array([-41459.69874087, -38304.07324881, -43469.54628162]))
('Chem pot progress', array([-132.97702541, -15.20936274, 110.73877524]))
('Energy progress', -51.76911954507523)
('Driving force', 24.492044616010389)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.15862099 0.56449868 0.27688033], NP=0.1708312293565716), CompositionSet(LAVES_C15, [ 0.59431109 0.34220953 0.06347938], NP=0.8291687706434284)])
('reduced_hessian eigenvalues', array([ 3.19649243e+03, 6.84163665e+03, 2.75485237e+04,
6.48675076e+05, 2.92797021e+08]))
('NEW_L_MULTIPLIERS', array([ 1389.90115094, -3808.99738356, -6289.97645106, -19713.03126294,
-41495.60281832, -38379.23214797, -43297.97406085]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 1.38777878e-17,
2.42861287e-17, -1.18386342e-04, 1.83462190e-04,
-6.50758477e-05]))
('penalty', 10000)
('old_driving_force', -40433.363816078163, 0.00018346218992598695)
('sublsum', -53.883707329421966)
(1.0, -40458.5159475701, 0.00058231958096127689)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.15975343 0.54943315 0.29081341], NP=0.14692393265516854), CompositionSet(LAVES_C15, [ 0.58165837 0.35150141 0.06684022], NP=0.8530760673448315)])
('step', array([ 1.13244072e-03, -1.50655249e-02, 1.39330841e-02,
0.00000000e+00, -1.89792080e-02, 1.42916798e-02,
4.68752822e-03, 2.48825715e-07, -7.07735157e-04,
7.07486331e-04, -2.39072967e-02, 2.39072967e-02]))
('conv_angle', 72.072301699191911)
('Site fractions', array([ 1.59753433e-01, 5.49433152e-01, 2.90813414e-01,
1.00000000e+00, 8.72485454e-01, 2.82630303e-02,
9.92515154e-02, 4.18916261e-06, 9.97978168e-01,
2.01764276e-03]))
('Phase fractions', array([ 0.14692393, 0.85307607]))
('Chemical potentials', array([-41495.60281832, -38379.23214797, -43297.97406085]))
('Chem pot progress', array([ -35.90407744, -75.15889916, 171.57222077]))
('Energy progress', -31.548026860880782)
('Driving force', 21.456748649121437)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.15975343 0.54943315 0.29081341], NP=0.14692393265516854), CompositionSet(LAVES_C15, [ 0.58165837 0.35150141 0.06684022], NP=0.8530760673448315)])
('reduced_hessian eigenvalues', array([ 2.91116456e+03, 5.49843406e+03, 1.07819040e+04,
4.28071245e+05, 2.81127044e+08]))
('NEW_L_MULTIPLIERS', array([ 1262.31189594, -3439.39870184, -6387.77694548, -19863.52023657,
-41433.83285605, -38468.82480088, -43169.26977764]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 2.77555756e-17,
6.93889390e-18, -3.29565985e-04, 5.82319581e-04,
-2.52753596e-04]))
('penalty', 10000)
('old_driving_force', -40458.410888265134, 0.00058231958096127689)
('sublsum', -10.33544136922638)
(1.0, -40468.946371823848, 0.00033401162818347263)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16366155 0.531543 0.30479545], NP=0.13275642580982003), CompositionSet(LAVES_C15, [ 0.5743648 0.35718715 0.06844805], NP=0.8672435741901802)])
('step', array([ 3.90811196e-03, -1.78901505e-02, 1.39820386e-02,
0.00000000e+00, -1.09404587e-02, 8.74330745e-03,
2.19715125e-03, 2.06692866e-07, -4.29386859e-04,
4.29180166e-04, -1.41675068e-02, 1.41675068e-02]))
('conv_angle', 74.666533438936483)
('Site fractions', array([ 1.63661545e-01, 5.31543002e-01, 3.04795453e-01,
1.00000000e+00, 8.61544996e-01, 3.70063378e-02,
1.01448667e-01, 4.39585547e-06, 9.97548781e-01,
2.44682292e-03]))
('Phase fractions', array([ 0.13275643, 0.86724357]))
('Chemical potentials', array([-41433.83285605, -38468.82480088, -43169.26977764]))
('Chem pot progress', array([ 61.76996226, -89.59265291, 128.70428321]))
('Energy progress', -6.439955076093611)
('Driving force', 5.0468828613375081)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16366155 0.531543 0.30479545], NP=0.13275642580982003), CompositionSet(LAVES_C15, [ 0.5743648 0.35718715 0.06844805], NP=0.8672435741901802)])
('reduced_hessian eigenvalues', array([ 2.77232309e+03, 4.56309451e+03, 7.12214316e+03,
3.57567181e+05, 2.70997248e+08]))
('NEW_L_MULTIPLIERS', array([ 1244.27972686, -3388.33802374, -6408.80641565, -19880.1252573 ,
-41411.95603147, -38491.79249835, -43147.05519567]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -2.77555756e-17,
4.25007252e-17, -1.58699909e-04, 3.34011628e-04,
-1.75311719e-04]))
('penalty', 10000)
('old_driving_force', -40468.931334019195, 0.00033401162818347263)
('sublsum', -0.19169001781361383)
(1.0, -40475.473191234727, 1.174873717069147e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16504082 0.52638649 0.30857268], NP=0.13078424056406876), CompositionSet(LAVES_C15, [ 0.57340268 0.35798786 0.06860946], NP=0.8692157594359312)])
('step', array([ 1.37927886e-03, -5.15650850e-03, 3.77722964e-03,
0.00000000e+00, -1.44319984e-03, 1.24452840e-03,
1.98671447e-04, 4.40924761e-08, -8.69287221e-05,
8.68846296e-05, -1.97218525e-03, 1.97218525e-03]))
('conv_angle', 78.672115496893241)
('Site fractions', array([ 1.65040824e-01, 5.26386493e-01, 3.08572683e-01,
1.00000000e+00, 8.60101796e-01, 3.82508662e-02,
1.01647338e-01, 4.43994795e-06, 9.97461853e-01,
2.53370755e-03]))
('Phase fractions', array([ 0.13078424, 0.86921576]))
('Chemical potentials', array([-41411.95603147, -38491.79249835, -43147.05519567]))
('Chem pot progress', array([ 21.87682458, -22.96769746, 22.21458197]))
('Energy progress', -1.3294698451427394)
('Driving force', 0.095639325649244711)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16504082 0.52638649 0.30857268], NP=0.13078424056406876), CompositionSet(LAVES_C15, [ 0.57340268 0.35798786 0.06860946], NP=0.8692157594359312)])
('reduced_hessian eigenvalues', array([ 2.76466966e+03, 4.39746641e+03, 6.72438841e+03,
3.46077055e+05, 2.68687348e+08]))
('NEW_L_MULTIPLIERS', array([ 1244.09179573, -3387.9029937 , -6409.09325753, -19880.16208336,
-41411.53449036, -38492.13094483, -43147.00516292]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, -2.77555756e-17,
-5.94142791e-17, -4.61766940e-06, 1.17487372e-05,
-7.13106777e-06]))
('penalty', 10000)
('old_driving_force', -40475.473184955088, 1.174873717069147e-05)
('sublsum', -5.3108007921863043e-05)
(1.0, -40475.70813535693, 2.5449314877690199e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16508251 0.52625094 0.30866655], NP=0.1307667870131403), CompositionSet(LAVES_C15, [ 0.57339352 0.35799812 0.06860836], NP=0.8692332129868596)])
('step', array([ 4.16856111e-05, -1.35551392e-04, 9.38657808e-05,
0.00000000e+00, -1.37394290e-05, 1.63364355e-05,
-2.59700645e-06, 5.85011979e-10, -1.89201130e-06,
1.89142629e-06, -1.74535509e-05, 1.74535509e-05]))
('conv_angle', 81.163835598940096)
('Site fractions', array([ 1.65082510e-01, 5.26250942e-01, 3.08666548e-01,
1.00000000e+00, 8.60088056e-01, 3.82672026e-02,
1.01644741e-01, 4.44053296e-06, 9.97459960e-01,
2.53559898e-03]))
('Phase fractions', array([ 0.13076679, 0.86923321]))
('Chemical potentials', array([-41411.53449036, -38492.13094483, -43147.00516292]))
('Chem pot progress', array([ 0.42154111, -0.33844648, 0.05003275]))
('Energy progress', -0.04669131476839539)
('Driving force', 2.405954001005739e-05)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16508251 0.52625094 0.30866655], NP=0.1307667870131403), CompositionSet(LAVES_C15, [ 0.57339352 0.35799812 0.06860836], NP=0.8692332129868596)])
('reduced_hessian eigenvalues', array([ 2.76555481e+03, 4.39313983e+03, 6.71975824e+03,
3.45833148e+05, 2.68653595e+08]))
('NEW_L_MULTIPLIERS', array([ 1244.0917155 , -3387.9028944 , -6409.09331858, -19880.16208718,
-41411.53449955, -38492.13085095, -43147.0052313 ]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -1.38777878e-17,
5.11743425e-17, -8.87426466e-10, 2.54493149e-09,
-1.65750513e-09]))
('penalty', 10000)
('old_driving_force', -40475.70813535693, 2.5449314877690199e-09)
('sublsum', -3.3154488976432398e-12)
(1.0, -40475.708186255542, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16508251 0.52625091 0.30866658], NP=0.13076678647576706), CompositionSet(LAVES_C15, [ 0.57339352 0.35799812 0.06860836], NP=0.869233213524233)])
('step', array([ 1.21122236e-09, -3.00202052e-08, 2.88089829e-08,
0.00000000e+00, 8.79423584e-10, 2.82220439e-09,
-3.70162796e-09, 2.49352158e-14, -5.67075832e-10,
5.67050845e-10, -5.37373219e-10, 5.37373322e-10]))
('conv_angle', 82.202735242400223)
('Site fractions', array([ 1.65082511e-01, 5.26250912e-01, 3.08666577e-01,
1.00000000e+00, 8.60088057e-01, 3.82672054e-02,
1.01644737e-01, 4.44053298e-06, 9.97459960e-01,
2.53559954e-03]))
('Phase fractions', array([ 0.13076679, 0.86923321]))
('Chemical potentials', array([-41411.53449955, -38492.13085095, -43147.0052313 ]))
('Chem pot progress', array([ -9.18276055e-06, 9.38744852e-05, -6.83772741e-05]))
('Energy progress', -1.0306212061550468e-05)
('Driving force', 2.1827872842550278e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.16508251 0.52625093 0.30866657], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16508251 0.52625091 0.30866658], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.1650825 0.5262509 0.3086666], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.16508246 0.52625091 0.30866663], NP=1.0), -9.458744898438454e-11), (CompositionSet(BCC_A2, [ 0.16508251 0.52625091 0.30866658], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.16508252 0.52625092 0.30866656], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16508251 0.52625091 0.30866658], NP=1.0), 7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57339352 0.35799812 0.06860836], NP=1.0), -2.1827872842550278e-11), (CompositionSet(LAVES_C15, [ 0.57339352 0.35799812 0.06860836], NP=1.0), -2.9103830456733704e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=0.21569402073927488), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.7843059792607252)])
('reduced_hessian eigenvalues', array([ 3.14053681e+03, 7.70471319e+03, 1.73774224e+14,
7.92965927e+14, 1.12463056e+15]))
('NEW_L_MULTIPLIERS', array([ 2193.68853085, -5877.78929212, -6035.45959314, -18274.07028628,
-41056.63857291, -38593.13438281, -43395.51161858]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, 4.40595962e-04, 8.61670853e-05,
-5.26763047e-04]))
('penalty', 10000)
('old_driving_force', -40321.545695656932, 0.00052676304704389609)
('sublsum', -45.604184498442152)
(1.0, -40337.152116737328, 0.00082486213407356734)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.17027225 0.53788092 0.29184683], NP=0.2274444774906127), CompositionSet(LAVES_C15, [ 0.60913564 0.33333333 0.05753103], NP=0.7725555225093873)])
('step', array([ -4.14474939e-02, -1.22077631e-02, 5.36552570e-02,
0.00000000e+00, 2.48145704e-02, 3.43078617e-11,
-2.48145704e-02, 2.15738461e-11, -5.17438022e-11,
3.01701516e-11, 1.17504568e-02, -1.17504568e-02]))
('conv_angle', 89.684441211150357)
('Site fractions', array([ 1.70272248e-01, 5.37880924e-01, 2.91846828e-01,
1.00000000e+00, 9.13703459e-01, 3.53078617e-11,
8.62965407e-02, 2.25738461e-11, 1.00000000e+00,
3.11701516e-11]))
('Phase fractions', array([ 0.22744448, 0.77255552]))
('Chemical potentials', array([-41056.63857291, -38593.13438281, -43395.51161858]))
('Chem pot progress', array([ 91.51886498, -202.22139591, -142.09361338]))
('Energy progress', -23.948780084589089)
('Driving force', 24.133656277146656)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.17027225 0.53788092 0.29184683], NP=0.2274444774906127), CompositionSet(LAVES_C15, [ 0.60913564 0.33333333 0.05753103], NP=0.7725555225093873)])
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('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16565735 0.5190025 0.31534014], NP=0.16676140472595852), CompositionSet(LAVES_C15, [ 0.57854624 0.35286882 0.06858494], NP=0.8332385952740415)])
('step', array([ 2.45459481e-03, -1.76098653e-02, 1.51552705e-02,
0.00000000e+00, -1.76386416e-02, 1.36721380e-02,
3.96650357e-03, 2.53391898e-07, -6.95173772e-04,
6.94920380e-04, -2.16475695e-02, 2.16475695e-02]))
('conv_angle', 72.129610551514162)
('Site fractions', array([ 1.65657355e-01, 5.19002504e-01, 3.15340141e-01,
1.00000000e+00, 8.67817140e-01, 3.04314980e-02,
1.01751362e-01, 4.44246450e-06, 9.97743465e-01,
2.25209226e-03]))
('Phase fractions', array([ 0.1667614, 0.8332386]))
('Chemical potentials', array([-41428.31445683, -38526.68067434, -43074.32790222]))
('Chem pot progress', array([ -1.32566894, -83.48386545, 147.17202122]))
('Energy progress', -22.8275277979119)
('Driving force', 16.842379789952247)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16565735 0.5190025 0.31534014], NP=0.16676140472595852), CompositionSet(LAVES_C15, [ 0.57854624 0.35286882 0.06858494], NP=0.8332385952740415)])
('reduced_hessian eigenvalues', array([ 3.14826783e+03, 6.24584863e+03, 1.02253638e+04,
3.76171838e+05, 2.59514882e+08]))
('NEW_L_MULTIPLIERS', array([ 1505.84203064, -4075.77955909, -6245.17879078, -19255.51538764,
-41371.16690436, -38593.96867209, -42999.98374344]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 4.16333634e-17,
8.67361738e-18, -3.07689997e-04, 5.73506881e-04,
-2.65816884e-04]))
('penalty', 10000)
('old_driving_force', -40478.366645273883, 0.00057350688102214553)
('sublsum', -5.0294141865260524)
(1.0, -40488.95594769084, 0.00017657747290367176)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16934538 0.50433603 0.32631859], NP=0.15736269916165732), CompositionSet(LAVES_C15, [ 0.57352013 0.35698977 0.0694901 ], NP=0.8426373008383427)])
('step', array([ 3.68802362e-03, -1.46664727e-02, 1.09784490e-02,
0.00000000e+00, -7.53924437e-03, 6.34844559e-03,
1.19079878e-03, 1.50688670e-07, -3.34035091e-04,
3.33884402e-04, -9.39870556e-03, 9.39870556e-03]))
('conv_angle', 74.758829430672634)
('Site fractions', array([ 1.69345378e-01, 5.04336031e-01, 3.26318590e-01,
1.00000000e+00, 8.60277895e-01, 3.67799436e-02,
1.02942161e-01, 4.59315317e-06, 9.97409430e-01,
2.58597666e-03]))
('Phase fractions', array([ 0.1573627, 0.8426373]))
('Chemical potentials', array([-41371.16690436, -38593.96867209, -42999.98374344]))
('Chem pot progress', array([ 57.14755247, -67.28799775, 74.34415878]))
('Energy progress', -4.031823268145672)
('Driving force', 2.5139312458777567)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16934538 0.50433603 0.32631859], NP=0.15736269916165732), CompositionSet(LAVES_C15, [ 0.57352013 0.35698977 0.0694901 ], NP=0.8426373008383427)])
('reduced_hessian eigenvalues', array([ 3.06053812e+03, 5.71254327e+03, 7.57475893e+03,
3.30489694e+05, 2.52861468e+08]))
('NEW_L_MULTIPLIERS', array([ 1498.50452675, -4055.53306913, -6253.90003213, -19261.15325056,
-41360.6551313 , -38603.28406379, -42994.06267372]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.38777878e-17,
0.00000000e+00, -8.19016014e-05, 1.76577473e-04,
-9.46758715e-05]))
('penalty', 10000)
('old_driving_force', -40488.952881289035, 0.00017657747290367176)
('sublsum', -0.044333490087943656)
(1.0, -40492.461806604355, 2.2444397949072936e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.1700926 0.50187434 0.32803306], NP=0.15657506222853654), CompositionSet(LAVES_C15, [ 0.57309999 0.35737767 0.06952234], NP=0.8434249377714634)])
('step', array([ 7.47216713e-04, -2.46169023e-03, 1.71447352e-03,
0.00000000e+00, -6.30218274e-04, 6.02847191e-04,
2.73710829e-05, 1.73956883e-08, -4.20047313e-05,
4.19873356e-05, -7.87636933e-04, 7.87636933e-04]))
('conv_angle', 77.896279839645587)
('Site fractions', array([ 1.70092595e-01, 5.01874341e-01, 3.28033064e-01,
1.00000000e+00, 8.59647677e-01, 3.73827908e-02,
1.02969532e-01, 4.61054886e-06, 9.97367425e-01,
2.62796399e-03]))
('Phase fractions', array([ 0.15657506, 0.84342494]))
('Chemical potentials', array([-41360.6551313 , -38603.28406379, -42994.06267372]))
('Chem pot progress', array([ 10.51177306, -9.3153917 , 5.92106972]))
('Energy progress', -0.6554455540317576)
('Driving force', 0.022259909972490277)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1700926 0.50187434 0.32803306], NP=0.15657506222853654), CompositionSet(LAVES_C15, [ 0.57309999 0.35737767 0.06952234], NP=0.8434249377714634)])
('reduced_hessian eigenvalues', array([ 3.05195343e+03, 5.66333571e+03, 7.36351248e+03,
3.25510469e+05, 2.52038487e+08]))
('NEW_L_MULTIPLIERS', array([ 1498.46192909, -4055.44343436, -6253.94814709, -19261.16352142,
-41360.57779106, -38603.32344162, -42994.08288075]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
6.07153217e-18, -9.19453039e-07, 2.24443979e-06,
-1.32498676e-06]))
('penalty', 10000)
('old_driving_force', -40492.461806471634, 2.2444397949072936e-06)
('sublsum', -2.8460107529476473e-06)
(1.0, -40492.506694572308, 1.0591832966255765e-10)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.1701016 0.50184877 0.32804963], NP=0.15657131944824504), CompositionSet(LAVES_C15, [ 0.57309762 0.3573804 0.06952198], NP=0.8434286805517549)])
('step', array([ 9.00149121e-06, -2.55720238e-05, 1.65705326e-05,
0.00000000e+00, -3.55398213e-06, 4.29557130e-06,
-7.41589170e-07, 7.33984810e-11, -4.09072259e-07,
4.08998860e-07, -3.74278029e-06, 3.74278029e-06]))
('conv_angle', 79.567245713206802)
('Site fractions', array([ 1.70101597e-01, 5.01848769e-01, 3.28049634e-01,
1.00000000e+00, 8.59644123e-01, 3.73870863e-02,
1.02968791e-01, 4.61062226e-06, 9.97367016e-01,
2.62837299e-03]))
('Phase fractions', array([ 0.15657132, 0.84342868]))
('Chemical potentials', array([-41360.57779106, -38603.32344162, -42994.08288075]))
('Chem pot progress', array([ 0.07734024, -0.03937784, -0.02020703]))
('Energy progress', -0.008353891593287699)
('Driving force', 1.4476390788331628e-06)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1701016 0.50184877 0.32804963], NP=0.15657131944824504), CompositionSet(LAVES_C15, [ 0.57309762 0.3573804 0.06952198], NP=0.8434286805517549)])
('reduced_hessian eigenvalues', array([ 3.05208773e+03, 5.66202103e+03, 7.36247091e+03,
3.25457239e+05, 2.52034779e+08]))
('NEW_L_MULTIPLIERS', array([ 1498.46189433, -4055.44340802, -6253.94815296, -19261.16354346,
-41360.57780544, -38603.32340669, -42994.08292161]))
('L_CONSTRAINTS', array([ -1.66533454e-16, 0.00000000e+00, 0.00000000e+00,
-4.33680869e-19, -4.25584012e-11, 1.05918330e-10,
-6.33599978e-11]))
('penalty', 10000)
('old_driving_force', -40492.506694572308, 1.0591832966255765e-10)
('sublsum', -2.9869200358672587e-13)
(1.0, -40492.506696690674, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.17010159 0.50184877 0.32804964], NP=0.15657131744761632), CompositionSet(LAVES_C15, [ 0.57309762 0.3573804 0.06952198], NP=0.8434286825523837)])
('step', array([ -5.25277434e-09, -5.93545515e-10, 5.84632002e-09,
0.00000000e+00, 1.04480726e-10, 5.13853004e-10,
-6.18333730e-10, -4.47366066e-15, -4.58514374e-11,
4.58559115e-11, -2.00062872e-09, 2.00062876e-09]))
('conv_angle', 70.620450780185777)
('Site fractions', array([ 1.70101591e-01, 5.01848769e-01, 3.28049640e-01,
1.00000000e+00, 8.59644123e-01, 3.73870869e-02,
1.02968790e-01, 4.61062226e-06, 9.97367016e-01,
2.62837304e-03]))
('Phase fractions', array([ 0.15657132, 0.84342868]))
('Chemical potentials', array([-41360.57780544, -38603.32340669, -42994.08292161]))
('Chem pot progress', array([ -1.43762009e-05, 3.49327165e-05, -4.08630440e-05]))
('Energy progress', -3.955356078222394e-07)
('Driving force', 7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.17010158 0.5018488 0.32804962], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.17010157 0.5018488 0.32804963], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.17010156 0.50184885 0.32804959], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.17010157 0.50184882 0.3280496 ], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.17010159 0.50184877 0.32804964], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.17010159 0.50184877 0.32804964], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.17010159 0.50184877 0.32804964], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.17010159 0.50184876 0.32804965], NP=1.0), 0.0)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57309762 0.35738039 0.06952198], NP=1.0), 7.275957614183426e-12), (CompositionSet(LAVES_C15, [ 0.57309763 0.35738039 0.06952198], NP=1.0), -1.4551915228366852e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.2084399183766853), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.7915600816233149)])
('reduced_hessian eigenvalues', array([ 2.75573785e+03, 1.22675121e+04, 2.57085888e+14,
8.79513148e+14, 1.13287982e+15]))
('NEW_L_MULTIPLIERS', array([ 2001.5988978 , -5331.94482245, -6154.87263322, -18650.56785195,
-41206.29794536, -38516.28007393, -42439.06908055]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, -7.27460867e-03, 2.60833301e-02,
-1.88087214e-02]))
('penalty', 10000)
('old_driving_force', -39667.411829832599, 0.026083330108264968)
('sublsum', -162.40268938422986)
(1.0, -40287.612997402721, 0.00016819303565102084)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.17193274 0.60780883 0.22025843], NP=0.2070671536118786), CompositionSet(LAVES_C15, [ 0.59827486 0.33333333 0.06839181], NP=0.7929328463881212)])
('step', array([ 1.04821335e-02, -1.22521382e-01, 1.12039248e-01,
0.00000000e+00, 8.52340305e-03, 3.49681152e-11,
-8.52340309e-03, 2.21630995e-11, -5.31450231e-11,
3.09821717e-11, -1.37276476e-03, 1.37276476e-03]))
('conv_angle', 89.471794055054389)
('Site fractions', array([ 1.71932736e-01, 6.07808829e-01, 2.20258435e-01,
1.00000000e+00, 8.97412292e-01, 3.59681152e-11,
1.02587708e-01, 2.31630995e-11, 1.00000000e+00,
3.19821717e-11]))
('Phase fractions', array([ 0.20706715, 0.79293285]))
('Chemical potentials', array([-41206.29794536, -38516.28007393, -42439.06908055]))
('Chem pot progress', array([ 186.24062468, -918.69213845, 2429.26259882]))
('Energy progress', -30.238061663418193)
('Driving force', -10.508769095031312)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.17193274 0.60780883 0.22025843], NP=0.2070671536118786), CompositionSet(LAVES_C15, [ 0.59827486 0.33333333 0.06839181], NP=0.7929328463881212)])
('reduced_hessian eigenvalues', array([ 2.61030864e+03, 8.49587493e+03, 9.05281692e+12,
3.58903191e+13, 6.19275469e+13]))
('NEW_L_MULTIPLIERS', array([ 2194.35466014, -6013.82345239, -5953.36197512, -18282.05190572,
-41116.1298855 , -38315.77375241, -43988.79092196]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 8.32667268e-17,
8.80412102e-17, -6.58908528e-06, 1.68193036e-04,
-1.61603950e-04]))
('penalty', 10000)
('old_driving_force', -40287.896568216114, 0.00016819303565102084)
('sublsum', -22.749013321925837)
(1.0, -40272.008088349132, 0.0013831499711829676)
(0.5, -40293.829141172879, 0.00026498551761086619)
('alpha', 0.5)
('Phases', [CompositionSet(BCC_A2, [ 0.16919713 0.59066589 0.24013698], NP=0.21969357687379149), CompositionSet(LAVES_C15, [ 0.60578234 0.33333333 0.06088433], NP=0.7803064231262085)])
('step', array([ -5.47120468e-03, -3.42858858e-02, 3.97570905e-02,
0.00000000e+00, 2.25224269e-02, 7.17094338e-10,
-2.25224276e-02, 2.67085481e-10, -8.11950372e-10,
5.44864821e-10, 2.52528465e-02, -2.52528465e-02]))
('conv_angle', 89.796194204485687)
('Site fractions', array([ 1.69197133e-01, 5.90665886e-01, 2.40136980e-01,
1.00000000e+00, 9.08673505e-01, 3.94515284e-10,
9.13264942e-02, 1.56705840e-10, 1.00000000e+00,
3.04414582e-10]))
('Phase fractions', array([ 0.21969358, 0.78030642]))
('Chemical potentials', array([-41116.1298855 , -38315.77375241, -43988.79092196]))
('Chem pot progress', array([ 90.16805986, 200.50632151, -1549.72184141]))
('Energy progress', -9.935518176687765)
('Driving force', 12.128245718609833)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16919713 0.59066589 0.24013698], NP=0.21969357687379149), CompositionSet(LAVES_C15, [ 0.60578234 0.33333333 0.06088433], NP=0.7803064231262085)])
('reduced_hessian eigenvalues', array([ 3.53912821e+03, 9.30888973e+03, 9.44778084e+11,
3.53555545e+12, 8.29949709e+12]))
('NEW_L_MULTIPLIERS', array([ 2082.17679984, -5784.92852297, -5984.60358424, -18487.48662773,
-41215.03302629, -38198.90890511, -43852.43350775]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -1.38777878e-17,
8.85494300e-17, -1.32627981e-04, -1.32357536e-04,
2.64985518e-04]))
('penalty', 10000)
('old_driving_force', -40293.862923293505, 0.00026498551761086619)
('sublsum', -2.9465343684977965)
(1.0, -40299.531710698437, 5.4572780886413819e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16137974 0.58717845 0.25144181], NP=0.22318525649241897), CompositionSet(LAVES_C15, [ 0.61010689 0.33333334 0.05655978], NP=0.7768147435075812)])
('step', array([ -7.81738925e-03, -3.48743651e-03, 1.13048258e-02,
0.00000000e+00, 6.48682365e-03, 7.16355883e-09,
-6.48683081e-03, 1.56588054e-09, -6.22952268e-09,
4.66364205e-09, 3.49167962e-03, -3.49167962e-03]))
('conv_angle', 89.875814354826957)
('Site fractions', array([ 1.61379744e-01, 5.87178450e-01, 2.51441806e-01,
1.00000000e+00, 9.15160329e-01, 7.55807412e-09,
8.48396634e-02, 1.72258638e-09, 9.99999993e-01,
4.96805663e-09]))
('Phase fractions', array([ 0.22318526, 0.77681474]))
('Chemical potentials', array([-41215.03302629, -38198.90890511, -43852.43350775]))
('Chem pot progress', array([ -98.90314079, 116.8648473 , 136.35741421]))
('Energy progress', -0.5431106643809471)
('Driving force', 1.8615008617416606)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16137974 0.58717845 0.25144181], NP=0.22318525649241897), CompositionSet(LAVES_C15, [ 0.61010689 0.33333334 0.05655978], NP=0.7768147435075812)])
('reduced_hessian eigenvalues', array([ 3.82456888e+03, 9.82127372e+03, 5.53067117e+10,
2.04877092e+11, 7.08220986e+11]))
('NEW_L_MULTIPLIERS', array([ 2079.70521546, -5782.80025974, -5986.93631937, -18490.05802929,
-41213.01507365, -38194.81337358, -43860.16517834]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 4.16333634e-17,
-9.78564591e-19, -4.23957605e-05, -1.21770204e-05,
5.45727809e-05]))
('penalty', 10000)
('old_driving_force', -40299.531153335665, 5.4572780886413819e-05)
('sublsum', -0.0092357101378891821)
(1.0, -40300.629568696175, 3.5363271477795166e-08)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16153541 0.58734275 0.25112183], NP=0.2230886085639634), CompositionSet(LAVES_C15, [ 0.61006091 0.33333339 0.0566057 ], NP=0.7769113914360366)])
('step', array([ 1.55667960e-04, 1.64304739e-04, -3.19972699e-04,
0.00000000e+00, -6.89720251e-05, 1.15555178e-07,
6.88564699e-05, 1.31643683e-08, -7.57471161e-08,
6.25827478e-08, -9.66479285e-05, 9.66479285e-05]))
('conv_angle', 89.980542459537659)
('Site fractions', array([ 1.61535412e-01, 5.87342755e-01, 2.51121833e-01,
1.00000000e+00, 9.15091357e-01, 1.23113252e-07,
8.49085199e-02, 1.48869547e-08, 9.99999918e-01,
6.75508044e-08]))
('Phase fractions', array([ 0.22308861, 0.77691139]))
('Chemical potentials', array([-41213.01507365, -38194.81337358, -43860.16517834]))
('Chem pot progress', array([ 2.01795264, 4.09553153, -7.73167059]))
('Energy progress', 0.17340651314589195)
('Driving force', 0.0011451312675490044)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16153541 0.58734275 0.25112183], NP=0.2230886085639634), CompositionSet(LAVES_C15, [ 0.61006091 0.33333339 0.0566057 ], NP=0.7769113914360366)])
('reduced_hessian eigenvalues', array([ 3.82392100e+03, 9.81348512e+03, 3.72430785e+09,
1.43407119e+10, 7.85201166e+10]))
('NEW_L_MULTIPLIERS', array([ 2079.62585339, -5782.59971002, -5986.88231869, -18490.21588484,
-41213.21891062, -38194.76887687, -43860.14553828]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -1.38777878e-17,
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2.04293613e-06, -3.11442256e-05, 3.11442256e-05]))
('conv_angle', 78.580916486340143)
('Site fractions', array([ 1.58636075e-01, 5.60069210e-01, 2.81294715e-01,
1.00000000e+00, 8.61313254e-01, 3.95744108e-02,
9.91123348e-02, 4.17342779e-06, 9.97612966e-01,
2.38286061e-03]))
('Phase fractions', array([ 0.15450968, 0.84549032]))
('Chemical potentials', array([-41484.13130779, -38325.26533675, -43415.07231987]))
('Chem pot progress', array([ 0.4767103 , -0.40886493, 0.30302567]))
('Energy progress', -0.0447172688509454)
('Driving force', 3.0368428269866854e-05)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.15863608 0.56006921 0.28129471], NP=0.1545096790060022), CompositionSet(LAVES_C15, [ 0.57421023 0.3589206 0.06686918], NP=0.8454903209939978)])
('reduced_hessian eigenvalues', array([ 2.93239892e+03, 5.86044959e+03, 8.41300624e+03,
3.57988348e+05, 2.79747557e+08]))
('NEW_L_MULTIPLIERS', array([ 1455.10065953, -4006.92853432, -6182.12715396, -19384.93218109,
-41484.13123664, -38325.26532079, -43415.07244129]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
-5.50774704e-17, -1.39420930e-09, 3.65075931e-09,
-2.25655006e-09]))
('penalty', 10000)
('old_driving_force', -40445.267576905499, 3.6507593059731391e-09)
('sublsum', -9.6680948589498901e-12)
(1.0, -40445.267649920715, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.1586361 0.56006917 0.28129474], NP=0.15450967630318704), CompositionSet(LAVES_C15, [ 0.57421022 0.3589206 0.06686918], NP=0.845490323696813)])
('step', array([ 2.29072043e-08, -4.37387713e-08, 2.08315670e-08,
0.00000000e+00, -5.79868400e-09, 6.97157830e-09,
-1.17289430e-09, 3.25880972e-13, -9.88643862e-10,
9.88318037e-10, -2.70281516e-09, 2.70281521e-09]))
('conv_angle', 80.15576222172281)
('Site fractions', array([ 1.58636098e-01, 5.60069166e-01, 2.81294735e-01,
1.00000000e+00, 8.61313249e-01, 3.95744177e-02,
9.91123336e-02, 4.17342811e-06, 9.97612965e-01,
2.38286160e-03]))
('Phase fractions', array([ 0.15450968, 0.84549032]))
('Chemical potentials', array([-41484.13123664, -38325.26532079, -43415.07244129]))
('Chem pot progress', array([ 7.11506946e-05, 1.59564006e-05, -1.21414429e-04]))
('Energy progress', -1.5889563655946404e-05)
('Driving force', -2.1827872842550278e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.1586361 0.56006917 0.28129473], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.1586361 0.56006916 0.28129474], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.1586361 0.56006917 0.28129474], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.1586361 0.56006917 0.28129474], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.1586361 0.56006918 0.28129471], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.1586361 0.56006917 0.28129474], NP=1.0), 7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57421023 0.3589206 0.06686918], NP=1.0), -7.275957614183426e-12), (CompositionSet(LAVES_C15, [ 0.57421023 0.3589206 0.06686918], NP=1.0), -7.275957614183426e-12)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.23964895168150444), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.7603510483184958)])
('reduced_hessian eigenvalues', array([ 3.03751062e+03, 1.38246144e+04, 2.67801524e+14,
8.75069609e+14, 1.09954811e+15]))
('NEW_L_MULTIPLIERS', array([ 2204.84046813, -5760.62873135, -6045.70832886, -18157.74543893,
-41185.15984247, -38637.48600289, -41875.90920336]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, -1.07301334e-02, 3.84732189e-02,
-2.77430855e-02]))
('penalty', 10000)
('old_driving_force', -39400.128226965549, 0.038473218885017535)
('sublsum', -223.2080352085346)
(1.0, -40266.41395559199, 0.0020469963000320224)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.17669787 0.59481301 0.22848912], NP=0.22454388519396826), CompositionSet(LAVES_C15, [ 0.59333398 0.33333333 0.07333269], NP=0.7754561148060317)])
('step', array([ 1.52472682e-02, -1.35517199e-01, 1.20269931e-01,
0.00000000e+00, 1.11207804e-03, 3.55910718e-11,
-1.11207807e-03, 2.27105786e-11, -5.44343945e-11,
3.17240713e-11, -1.51050665e-02, 1.51050665e-02]))
('conv_angle', 89.30960701371292)
('Site fractions', array([ 1.76697870e-01, 5.94813012e-01, 2.28489117e-01,
1.00000000e+00, 8.90000967e-01, 3.65910718e-11,
1.09999033e-01, 2.37105786e-11, 1.00000000e+00,
3.27240713e-11]))
('Phase fractions', array([ 0.22454389, 0.77545611]))
('Chemical potentials', array([-41185.15984247, -38637.48600289, -41875.90920336]))
('Chem pot progress', array([ 207.37872757, -1039.89806741, 2992.42247601]))
('Energy progress', -6.0311283929404453)
('Driving force', -39.804406860457675)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.17669787 0.59481301 0.22848912], NP=0.22454388519396826), CompositionSet(LAVES_C15, [ 0.59333398 0.33333333 0.07333269], NP=0.7754561148060317)])
('reduced_hessian eigenvalues', array([ 2.51816094e+03, 8.80875310e+03, 9.19232429e+12,
3.47011740e+13, 5.94100792e+13]))
('NEW_L_MULTIPLIERS', array([ 2510.25800324, -6767.23081903, -5775.3474835 , -17547.53572748,
-41005.48579588, -38510.35321452, -43862.88723134]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 0.00000000e+00, 6.93889390e-17,
1.36613468e-16, -2.19112324e-04, 2.04699630e-03,
-1.82788398e-03]))
('penalty', 10000)
('old_driving_force', -40270.266792438546, 0.0020469963000320224)
('sublsum', -38.601156067762972)
(1.0, -40266.351751704169, 0.0028394011591749146)
(0.5, -40313.353564687837, 0.00053313473145832901)
('alpha', 0.5)
('Phases', [CompositionSet(BCC_A2, [ 0.17545755 0.5685294 0.25601305], NP=0.24320050482775973), CompositionSet(LAVES_C15, [ 0.60385821 0.33333333 0.06280845], NP=0.7567994951722403)])
('step', array([ -2.48064075e-03, -5.25672310e-02, 5.50478717e-02,
0.00000000e+00, 3.15727107e-02, 7.15064792e-10,
-3.15727114e-02, 2.68619928e-10, -8.16813620e-10,
5.48193581e-10, 3.73132393e-02, -3.73132393e-02]))
('conv_angle', 89.755576674884338)
('Site fractions', array([ 1.75457550e-01, 5.68529397e-01, 2.56013053e-01,
1.00000000e+00, 9.05787322e-01, 3.94123468e-10,
9.42126773e-02, 1.58020543e-10, 1.00000000e+00,
3.06820862e-10]))
('Phase fractions', array([ 0.2432005, 0.7567995]))
('Chemical potentials', array([-41005.48579588, -38510.35321452, -43862.88723134]))
('Chem pot progress', array([ 179.67404659, 127.13278837, -1986.97802798]))
('Energy progress', -21.226652586075943)
('Driving force', 22.681987732343259)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.17545755 0.5685294 0.25601305], NP=0.24320050482775973), CompositionSet(LAVES_C15, [ 0.60385821 0.33333333 0.06280845], NP=0.7567994951722403)])
('reduced_hessian eigenvalues', array([ 3.62230877e+03, 9.88690569e+03, 9.90140286e+11,
3.44027426e+12, 8.03606530e+12]))
('NEW_L_MULTIPLIERS', array([ 2305.29460585, -6342.70272264, -5842.45393308, -17920.81875729,
-41174.0809584 , -38319.34341707, -43607.51342903]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 8.32667268e-17,
7.06939754e-17, -3.29043033e-04, 5.33134731e-04,
-2.04091698e-04]))
('penalty', 10000)
('old_driving_force', -40313.458754035673, 0.00053313473145832901)
('sublsum', -3.8887621762742213)
(1.0, -40325.385827583421, 3.329952626318633e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16540869 0.56460989 0.26998142], NP=0.2449866286641935), CompositionSet(LAVES_C15, [ 0.60853331 0.33333334 0.05813336], NP=0.7550133713358066)])
('step', array([ -1.00488577e-02, -3.91950686e-03, 1.39683646e-02,
0.00000000e+00, 7.01263658e-03, 7.16453603e-09,
-7.01264374e-03, 1.58874521e-09, -6.31605289e-09,
4.72730761e-09, 1.78612384e-03, -1.78612384e-03]))
('conv_angle', 89.854183974101659)
('Site fractions', array([ 1.65408692e-01, 5.64609890e-01, 2.69981418e-01,
1.00000000e+00, 9.12799959e-01, 7.55865950e-09,
8.72000336e-02, 1.74676575e-09, 9.99999993e-01,
5.03412848e-09]))
('Phase fractions', array([ 0.24498663, 0.75501337]))
('Chemical potentials', array([-41174.0809584 , -38319.34341707, -43607.51342903]))
('Chem pot progress', array([-168.59516252, 191.00979745, 255.37380231]))
('Energy progress', -4.049989934705081)
('Driving force', 2.3590709427953698)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16540869 0.56460989 0.26998142], NP=0.2449866286641935), CompositionSet(LAVES_C15, [ 0.60853331 0.33333334 0.05813336], NP=0.7550133713358066)])
('reduced_hessian eigenvalues', array([ 3.94963911e+03, 1.04053316e+04, 5.76707940e+10,
1.98236548e+11, 6.82974768e+11]))
('NEW_L_MULTIPLIERS', array([ 2304.31224709, -6345.0200989 , -5844.55449674, -17919.269808 ,
-41169.37227857, -38316.07335364, -43619.13828224]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -4.16333634e-17,
-8.32898383e-17, -2.62987969e-05, -7.00072940e-06,
3.32995263e-05]))
('penalty', 10000)
('old_driving_force', -40325.385293755869, 3.329952626318633e-05)
('sublsum', -0.0095378329303903581)
(1.0, -40326.058428859433, 2.9674707469062866e-08)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.1657316 0.56455637 0.26971203], NP=0.24507341851527792), CompositionSet(LAVES_C15, [ 0.6085143 0.33333339 0.05815231], NP=0.7549265814847221)])
('step', array([ 3.22907526e-04, -5.35148224e-05, -2.69392704e-04,
0.00000000e+00, -2.85171455e-05, 1.15387709e-07,
2.84017578e-05, 1.34066015e-08, -7.70522948e-08,
6.36456934e-08, 8.67898511e-05, -8.67898511e-05]))
('conv_angle', 89.980104831513145)
('Site fractions', array([ 1.65731600e-01, 5.64556375e-01, 2.69712025e-01,
1.00000000e+00, 9.12771442e-01, 1.22946369e-07,
8.72284353e-02, 1.51533672e-08, 9.99999916e-01,
6.86798219e-08]))
('Phase fractions', array([ 0.24507342, 0.75492658]))
('Chemical potentials', array([-41169.37227857, -38316.07335364, -43619.13828224]))
('Chem pot progress', array([ 4.70867984, 3.27006343, -11.62485321]))
('Energy progress', 0.0938611907986342)
('Driving force', 0.00093589386233361438)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1657316 0.56455637 0.26971203], NP=0.24507341851527792), CompositionSet(LAVES_C15, [ 0.6085143 0.33333339 0.05815231], NP=0.7549265814847221)])
('reduced_hessian eigenvalues', array([ 3.94806546e+03, 1.04032816e+04, 3.89637012e+09,
1.38113148e+10, 7.53828810e+10]))
('NEW_L_MULTIPLIERS', array([ 2304.2270961 , -6344.80890256, -5844.5084849 , -17919.43540525,
-41169.5754833 , -38316.03544282, -43619.09871636]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -2.77555756e-17,
6.17255937e-17, 2.96747075e-08, -4.64899064e-09,
-2.50257168e-08]))
('penalty', 10000)
('old_driving_force', -40326.058428852237, 2.9674707469062866e-08)
('sublsum', -0.083400778939478795)
(1.0, -40326.130031897919, 4.1656900151565424e-11)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16572596 0.56456205 0.26971199], NP=0.24506492844919292), CompositionSet(LAVES_C15, [ 0.60851111 0.33333415 0.05815474], NP=0.7549350715508071)])
('step', array([ -5.63517567e-06, 5.67182524e-06, -3.66495648e-08,
0.00000000e+00, -4.82615714e-06, 1.53418851e-06,
3.29196863e-06, 8.35798546e-08, -7.72522621e-07,
6.88942766e-07, -8.49006609e-06, 8.49006608e-06]))
('conv_angle', 83.909278456505675)
('Site fractions', array([ 1.65725965e-01, 5.64562047e-01, 2.69711989e-01,
1.00000000e+00, 9.12766616e-01, 1.65713487e-06,
8.72317273e-02, 9.87332218e-08, 9.99999144e-01,
7.57622588e-07]))
('Phase fractions', array([ 0.24506493, 0.75493507]))
('Chemical potentials', array([-41169.5754833 , -38316.03544282, -43619.09871636]))
('Chem pot progress', array([-0.20320473, 0.03791082, 0.03956588]))
('Energy progress', -0.07105858971044654)
('Driving force', 0.012390415620757267)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16572596 0.56456205 0.26971199], NP=0.24506492844919292), CompositionSet(LAVES_C15, [ 0.60851111 0.33333415 0.05815474], NP=0.7549350715508071)])
('reduced_hessian eigenvalues', array([ 3.94829332e+03, 1.04055327e+04, 3.11306292e+08,
1.19602884e+09, 1.12461508e+10]))
('NEW_L_MULTIPLIERS', array([ 2303.48072429, -6342.91689554, -5844.18555045, -17920.88310281,
-41171.21421298, -38315.73918954, -43618.7119112 ]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -4.16333634e-17,
1.18881074e-17, 2.07632800e-11, -4.16569002e-11,
2.08935785e-11]))
('penalty', 10000)
('old_driving_force', -40326.130031897883, 4.1656900151565424e-11)
('sublsum', -0.673666665205642)
(1.0, -40326.690484433966, 2.6760586524510188e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16567879 0.56460623 0.26971498], NP=0.24498915418569964), CompositionSet(LAVES_C15, [ 0.60848198 0.33334302 0.058175 ], NP=0.7550108458143003)])
('step', array([ -4.71750835e-05, 4.41825994e-05, 2.99248412e-06,
0.00000000e+00, -4.38738322e-05, 1.63702674e-05,
2.75035648e-05, 3.59564215e-07, -6.14132224e-06,
5.78175803e-06, -7.57742635e-05, 7.57742635e-05]))
('conv_angle', 82.787649830759733)
('Site fractions', array([ 1.65678790e-01, 5.64606229e-01, 2.69714981e-01,
1.00000000e+00, 9.12722742e-01, 1.80274022e-05,
8.72592309e-02, 4.58297437e-07, 9.99993002e-01,
6.53938062e-06]))
('Phase fractions', array([ 0.24498915, 0.75501085]))
('Chemical potentials', array([-41171.21421298, -38315.73918954, -43618.7119112 ]))
('Chem pot progress', array([-1.63872968, 0.29625328, 0.38680516]))
('Energy progress', -0.5605158983889851)
('Driving force', 0.11316268476366531)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16567879 0.56460623 0.26971498], NP=0.24498915418569964), CompositionSet(LAVES_C15, [ 0.60848198 0.33334302 0.058175 ], NP=0.7550108458143003)])
('reduced_hessian eigenvalues', array([ 3.94426945e+03, 1.03983037e+04, 3.03115980e+07,
1.33091946e+08, 2.38065740e+09]))
('NEW_L_MULTIPLIERS', array([ 2298.59963893, -6330.37239005, -5842.52329439, -17930.07129738,
-41180.93819836, -38314.13364386, -43616.09985344]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -4.16333634e-17,
-5.09287030e-17, 1.36740086e-09, -2.67605865e-09,
1.30865778e-09]))
('penalty', 10000)
('old_driving_force', -40326.690484419792, 2.6760586524510188e-09)
('sublsum', -4.0615912177087967)
(1.0, -40329.967840449324, 7.7325173652997847e-08)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16540295 0.56483863 0.26975842], NP=0.24448883013650846), CompositionSet(LAVES_C15, [ 0.60827805 0.33342087 0.05830109], NP=0.7555111698634915)])
('step', array([ -2.75834670e-04, 2.32396287e-04, 4.34383834e-05,
0.00000000e+00, -3.06379274e-04, 1.35173782e-04,
1.71205492e-04, 9.66208526e-07, -3.68092542e-05,
3.58430457e-05, -5.00324049e-04, 5.00324049e-04]))
('conv_angle', 80.978202435608736)
('Site fractions', array([ 1.65402955e-01, 5.64838626e-01, 2.69758419e-01,
1.00000000e+00, 9.12416362e-01, 1.53201184e-04,
8.74304364e-02, 1.42450596e-06, 9.99956193e-01,
4.23824263e-05]))
('Phase fractions', array([ 0.24448883, 0.75551117]))
('Chemical potentials', array([-41180.93819836, -38314.13364386, -43616.09985344]))
('Chem pot progress', array([-9.72398539, 1.60554568, 2.61205775]))
('Energy progress', -3.279160523219616)
('Driving force', 0.78281721172243124)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16540295 0.56483863 0.26975842], NP=0.24448883013650846), CompositionSet(LAVES_C15, [ 0.60827805 0.33342087 0.05830109], NP=0.7555111698634915)])
('reduced_hessian eigenvalues', array([ 3.93319668e+03, 1.03703541e+04, 3.71958770e+06,
1.98395533e+07, 7.58607496e+08]))
('NEW_L_MULTIPLIERS', array([ 2275.39575611, -6269.60476176, -5837.3845924 , -17971.86654241,
-41220.81679745, -38308.62393265, -43603.19062703]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 4.16333634e-17,
4.60040534e-17, 3.59752457e-08, -7.73251737e-08,
4.13499280e-08]))
('penalty', 10000)
('old_driving_force', -40329.967839122437, 7.7325173652997847e-08)
('sublsum', -17.150815540609873)
(1.0, -40343.26280214233, 5.8968903304812414e-07)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16430389 0.5655812 0.27011491], NP=0.24207936771298558), CompositionSet(LAVES_C15, [ 0.60722126 0.3339187 0.05886004], NP=0.7579206322870145)])
('step', array([ -1.09906578e-03, 7.42572649e-04, 3.56493132e-04,
0.00000000e+00, -1.58588409e-03, 8.24418869e-04,
7.61465220e-04, 1.39453183e-06, -1.55336305e-04,
1.53941774e-04, -2.40946242e-03, 2.40946242e-03]))
('conv_angle', 78.528224520060078)
('Site fractions', array([ 1.64303889e-01, 5.65581198e-01, 2.70114913e-01,
1.00000000e+00, 9.10830478e-01, 9.77620053e-04,
8.81919016e-02, 2.81903779e-06, 9.99800857e-01,
1.96324200e-04]))
('Phase fractions', array([ 0.24207937, 0.75792063]))
('Chemical potentials', array([-41220.81679745, -38308.62393265, -43603.19062703]))
('Chem pot progress', array([-39.87859909, 5.5097112 , 12.90922641]))
('Energy progress', -13.307766082027229)
('Driving force', 3.8481055112570175)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16430389 0.5655812 0.27011491], NP=0.24207936771298558), CompositionSet(LAVES_C15, [ 0.60722126 0.3339187 0.05886004], NP=0.7579206322870145)])
('reduced_hessian eigenvalues', array([ 3.89151897e+03, 1.02298051e+04, 5.93932636e+05,
4.16956532e+06, 3.82336366e+08]))
('NEW_L_MULTIPLIERS', array([ 2199.47292653, -6065.68811953, -5832.48941459, -18099.87585544,
-41322.86448042, -38300.07903591, -43559.10477922]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 4.16333634e-17,
-1.13841228e-18, 1.01858978e-07, -5.89689033e-07,
4.87830055e-07]))
('penalty', 10000)
('old_driving_force', -40343.262808215426, 5.8968903304812414e-07)
('sublsum', -46.648976788236055)
(1.0, -40377.380531008377, 1.1036348228743442e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16166662 0.56639736 0.27193602], NP=0.23405765567768516), CompositionSet(LAVES_C15, [ 0.6033757 0.33611067 0.06051363], NP=0.7659423443223149)])
('step', array([ -2.63727217e-03, 8.16165085e-04, 1.82110708e-03,
0.00000000e+00, -5.76877310e-03, 3.50008795e-03,
2.26868516e-03, 8.70139745e-07, -4.24251916e-04,
4.23381776e-04, -8.02171204e-03, 8.02171204e-03]))
('conv_angle', 75.417379160615468)
('Site fractions', array([ 1.61666617e-01, 5.66397363e-01, 2.71936020e-01,
1.00000000e+00, 9.05061705e-01, 4.47770800e-03,
9.04605867e-02, 3.68917753e-06, 9.99376605e-01,
6.19705976e-04]))
('Phase fractions', array([ 0.23405766, 0.76594234]))
('Chemical potentials', array([-41322.86448042, -38300.07903591, -43559.10477922]))
('Chem pot progress', array([-102.04768297, 8.54489674, 44.08584781]))
('Energy progress', -34.28741694722703)
('Driving force', 12.363331955952162)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16166662 0.56639736 0.27193602], NP=0.23405765567768516), CompositionSet(LAVES_C15, [ 0.6033757 0.33611067 0.06051363], NP=0.7659423443223149)])
('reduced_hessian eigenvalues', array([ 3.78204333e+03, 9.78312513e+03, 1.25877198e+05,
1.30197283e+06, 2.93906460e+08]))
('NEW_L_MULTIPLIERS', array([ 2038.18480008, -5618.16470613, -5855.44508918, -18347.02823454,
-41457.88737648, -38309.30422891, -43460.26643544]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 2.77555756e-17,
5.35595873e-17, -9.69252655e-06, 1.10363482e-05,
-1.34382168e-06]))
('penalty', 10000)
('old_driving_force', -40377.38160508783, 1.1036348228743442e-05)
('sublsum', -72.313065303226551)
(1.0, -40423.931375004067, 0.00015733032224113375)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.15879318 0.56347836 0.27772846], NP=0.21664066213083685), CompositionSet(LAVES_C15, [ 0.59422227 0.34222482 0.06355292], NP=0.7833593378691632)])
('step', array([ -2.87343692e-03, -2.91900695e-03, 5.79244387e-03,
0.00000000e+00, -1.37302796e-02, 9.52005881e-03,
4.21022076e-03, 2.60617783e-07, -6.97687286e-04,
6.97426669e-04, -1.74169935e-02, 1.74169935e-02]))
('conv_angle', 72.212757837812205)
('Site fractions', array([ 1.58793180e-01, 5.63478356e-01, 2.77728463e-01,
1.00000000e+00, 8.91331426e-01, 1.39977668e-02,
9.46708075e-02, 3.94979532e-06, 9.98678918e-01,
1.31713264e-03]))
('Phase fractions', array([ 0.21664066, 0.78335934]))
('Chemical potentials', array([-41457.88737648, -38309.30422891, -43460.26643544]))
('Chem pot progress', array([-135.02289606, -9.225193 , 98.83834378]))
('Energy progress', -48.921704068365216)
('Driving force', 23.123663966180175)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.15879318 0.56347836 0.27772846], NP=0.21664066213083685), CompositionSet(LAVES_C15, [ 0.59422227 0.34222482 0.06355292], NP=0.7833593378691632)])
('reduced_hessian eigenvalues', array([ 3.56453563e+03, 8.84741733e+03, 3.59486096e+04,
6.14261246e+05, 2.78959361e+08]))
('NEW_L_MULTIPLIERS', array([ 1835.44070303, -5037.11062343, -5937.53528459, -18623.40165025,
-41500.68636535, -38366.07371678, -43322.47885622]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 1.38777878e-17,
-1.14491749e-16, -1.09378648e-04, 1.57330322e-04,
-4.79516737e-05]))
('penalty', 10000)
('old_driving_force', -40423.920517592764, 0.00015733032224113375)
('sublsum', -50.853653611488461)
(1.0, -40449.031335933018, 0.00046699497988811345)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.15930746 0.55192236 0.28877018], NP=0.1942651391001945), CompositionSet(LAVES_C15, [ 0.58178227 0.35153961 0.06667812], NP=0.8057348608998054)])
('step', array([ 5.14283475e-04, -1.15559997e-02, 1.10417162e-02,
0.00000000e+00, -1.86601086e-02, 1.43203385e-02,
4.33977010e-03, 2.19334762e-07, -6.96287767e-04,
6.96068432e-04, -2.23755230e-02, 2.23755230e-02]))
('conv_angle', 70.532052293078223)
('Site fractions', array([ 1.59307464e-01, 5.51922357e-01, 2.88770180e-01,
1.00000000e+00, 8.72671317e-01, 2.83181054e-02,
9.90105776e-02, 4.16913008e-06, 9.97982630e-01,
2.01320108e-03]))
('Phase fractions', array([ 0.19426514, 0.80573486]))
('Chemical potentials', array([-41500.68636535, -38366.07371678, -43322.47885622]))
('Chem pot progress', array([ -42.79898887, -56.76948787, 137.78757922]))
('Energy progress', -30.098085473742685)
('Driving force', 20.21337087287975)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.15930746 0.55192236 0.28877018], NP=0.1942651391001945), CompositionSet(LAVES_C15, [ 0.58178227 0.35153961 0.06667812], NP=0.8057348608998054)])
('reduced_hessian eigenvalues', array([ 3.30915313e+03, 7.66954647e+03, 1.48005575e+04,
4.08091321e+05, 2.69618427e+08]))
('NEW_L_MULTIPLIERS', array([ 1718.96335303, -4696.88154088, -6019.97603811, -18764.00189817,
-41449.72638155, -38432.14130064, -43228.32731344]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 5.55111512e-17,
6.76542156e-17, -2.89858853e-04, 4.66994980e-04,
-1.77136127e-04]))
('penalty', 10000)
('old_driving_force', -40448.969033860936, 0.00046699497988811345)
('sublsum', -9.9233969521979617)
(1.0, -40458.77767030619, 0.00024524438538453541)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16227783 0.53888795 0.29883422], NP=0.1812448406348211), CompositionSet(LAVES_C15, [ 0.57459885 0.35734075 0.0680604 ], NP=0.8187551593651788)])
('step', array([ 2.97036794e-03, -1.30344051e-02, 1.00640371e-02,
0.00000000e+00, -1.07752073e-02, 8.90365205e-03,
1.87155526e-03, 1.68706000e-07, -4.03891813e-04,
4.03723107e-04, -1.30202985e-02, 1.30202985e-02]))
('conv_angle', 71.82819178661876)
('Site fractions', array([ 1.62277832e-01, 5.38887952e-01, 2.98834217e-01,
1.00000000e+00, 8.61896110e-01, 3.72217574e-02,
1.00882133e-01, 4.33783608e-06, 9.97578738e-01,
2.41692418e-03]))
('Phase fractions', array([ 0.18124484, 0.81875516]))
('Chemical potentials', array([-41449.72638155, -38432.14130064, -43228.32731344]))
('Chem pot progress', array([ 50.9599838 , -66.06758386, 94.15154278]))
('Energy progress', -6.156778878175828)
('Driving force', 4.8317444881467964)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16227783 0.53888795 0.29883422], NP=0.1812448406348211), CompositionSet(LAVES_C15, [ 0.57459885 0.35734075 0.0680604 ], NP=0.8187551593651788)])
('reduced_hessian eigenvalues', array([ 3.17785221e+03, 6.96487360e+03, 9.90292051e+03,
3.43872968e+05, 2.61985249e+08]))
('NEW_L_MULTIPLIERS', array([ 1701.78772272, -4646.90570333, -6037.63353372, -18781.55510912,
-41431.37449076, -38448.20176595, -43212.640947 ]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 4.16333634e-17,
-1.26201133e-16, -1.32205288e-04, 2.45244385e-04,
-1.13039097e-04]))
('penalty', 10000)
('old_driving_force', -40458.769532177532, 0.00024524438538453541)
('sublsum', -0.19657375863215479)
(1.0, -40463.608064735796, 8.2786555303804299e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16326265 0.53545373 0.30128362], NP=0.17932841986032302), CompositionSet(LAVES_C15, [ 0.57357722 0.35822638 0.0681964 ], NP=0.820671580139677)])
('step', array([ 9.84820615e-04, -3.43422528e-03, 2.44940466e-03,
0.00000000e+00, -1.53246930e-03, 1.36769131e-03,
1.64777994e-04, 3.35685528e-08, -7.85002283e-05,
7.84666598e-05, -1.91642077e-03, 1.91642077e-03]))
('conv_angle', 74.629835510556276)
('Site fractions', array([ 1.63262652e-01, 5.35453726e-01, 3.01283622e-01,
1.00000000e+00, 8.60363640e-01, 3.85894487e-02,
1.01046911e-01, 4.37140463e-06, 9.97500238e-01,
2.49539084e-03]))
('Phase fractions', array([ 0.17932842, 0.82067158]))
('Chemical potentials', array([-41431.37449076, -38448.20176595, -43212.640947 ]))
('Chem pot progress', array([ 18.35189079, -16.06046531, 15.68636644]))
('Energy progress', -0.9995832727508969)
('Driving force', 0.10280042369413422)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16326265 0.53545373 0.30128362], NP=0.17932841986032302), CompositionSet(LAVES_C15, [ 0.57357722 0.35822638 0.0681964 ], NP=0.820671580139677)])
('reduced_hessian eigenvalues', array([ 3.16029754e+03, 6.85111741e+03, 9.33096930e+03,
3.33720689e+05, 2.60361839e+08]))
('NEW_L_MULTIPLIERS', array([ 1701.5493909 , -4646.26623198, -6037.9435931 , -18781.71621019,
-41430.96903998, -38448.50254482, -43212.4834197 ]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 2.77555756e-17,
7.50267903e-17, -3.84521325e-06, 8.27865553e-06,
-4.43344228e-06]))
('penalty', 10000)
('old_driving_force', -40463.608059988321, 8.2786555303804299e-06)
('sublsum', -5.5642849759023767e-05)
(1.0, -40463.77361169178, 2.4612301086079924e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16328971 0.53537028 0.30134001], NP=0.1793030648163686), CompositionSet(LAVES_C15, [ 0.57356331 0.35824 0.06819669], NP=0.8206969351836314)])
('step', array([ 2.70555909e-05, -8.34481576e-05, 5.63925668e-05,
0.00000000e+00, -2.08554569e-05, 2.13263076e-05,
-4.70850692e-07, 5.61437147e-10, -1.78519088e-06,
1.78462944e-06, -2.53550440e-05, 2.53550440e-05]))
('conv_angle', 76.870012231662187)
('Site fractions', array([ 1.63289708e-01, 5.35370278e-01, 3.01340014e-01,
1.00000000e+00, 8.60342785e-01, 3.86107750e-02,
1.01046440e-01, 4.37196607e-06, 9.97498453e-01,
2.49717547e-03]))
('Phase fractions', array([ 0.17930306, 0.82069694]))
('Chemical potentials', array([-41430.96903998, -38448.50254482, -43212.4834197 ]))
('Chem pot progress', array([ 0.40545078, -0.30077886, 0.1575273 ]))
('Energy progress', -0.03260699626116548)
('Driving force', 2.771741128526628e-05)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.16328971 0.53537028 0.30134001], NP=0.1793030648163686), CompositionSet(LAVES_C15, [ 0.57356331 0.35824 0.06819669], NP=0.8206969351836314)])
('reduced_hessian eigenvalues', array([ 3.16085714e+03, 6.85167771e+03, 9.32233219e+03,
3.33498198e+05, 2.60332758e+08]))
('NEW_L_MULTIPLIERS', array([ 1701.54928112, -4646.26622713, -6037.94382765, -18781.71637433,
-41430.96879922, -38448.50293397, -43212.48288237]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 2.77555756e-17,
-7.50267903e-17, -1.03851833e-09, 2.46123011e-09,
-1.42271185e-09]))
('penalty', 10000)
('old_driving_force', -40463.77361169178, 2.4612301086079924e-09)
('sublsum', -1.1746046824857363e-12)
(1.0, -40463.773660916355, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.16328971 0.53537027 0.30134002], NP=0.1793030557147205), CompositionSet(LAVES_C15, [ 0.57356331 0.35824 0.06819669], NP=0.8206969442852795)])
('step', array([ 2.07089271e-10, -8.24440534e-09, 8.03731612e-09,
0.00000000e+00, -4.99471566e-09, 1.52610461e-09,
3.46861102e-09, -5.19480967e-14, -7.52233031e-10,
7.52285054e-10, -9.10164810e-09, 9.10164815e-09]))
('conv_angle', 83.578945685036786)
('Site fractions', array([ 1.63289708e-01, 5.35370270e-01, 3.01340022e-01,
1.00000000e+00, 8.60342780e-01, 3.86107766e-02,
1.01046443e-01, 4.37196602e-06, 9.97498452e-01,
2.49717622e-03]))
('Phase fractions', array([ 0.17930306, 0.82069694]))
('Chemical potentials', array([-41430.96879922, -38448.50293397, -43212.48288237]))
('Chem pot progress', array([ 0.00024076, -0.00038915, 0.00053733]))
('Energy progress', -9.875097020994872e-06)
('Driving force', 2.1827872842550278e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.16328971 0.53537027 0.30134002], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.16328971 0.53537027 0.30134002], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.16328969 0.53537031 0.30134 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.16328971 0.53537027 0.30134002], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16328971 0.53537027 0.30134002], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.1632897 0.53537026 0.30134004], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16328971 0.53537027 0.30134002], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57356331 0.35824 0.06819669], NP=1.0), -3.637978807091713e-11), (CompositionSet(LAVES_C15, [ 0.57356332 0.35824 0.06819669], NP=1.0), -5.820766091346741e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=0.9412681169867588), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.05873188301324118)])
('reduced_hessian eigenvalues', array([ 1.31696363e+03, 2.93885278e+03, 3.28191347e+13,
9.84609421e+13, 1.31113669e+14]))
('NEW_L_MULTIPLIERS', array([ 6260.41770947, -24966.11410576, -846.33019214, -2455.97870348,
-40628.50368706, -39505.12134177, -42790.89505868]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, 6.99187119e-03, -1.47149185e-02,
7.72304731e-03]))
('penalty', 10000)
('old_driving_force', -41301.458567481604, 0.014714918499453056)
('sublsum', -15.564628174009723)
(1.0, -41560.699792317486, 0.0020969950346686472)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.33215358 0.09475357 0.57309284], NP=0.8948990538653696), CompositionSet(LAVES_C15, [ 0.61705502 0.33333333 0.04961164], NP=0.10510094613463045)])
('step', array([ -2.07615803e-02, 3.69791517e-03, 1.70636652e-02,
0.00000000e+00, 3.66936465e-02, 6.19657956e-11,
-3.66936465e-02, 3.97068965e-11, -9.50692767e-11,
5.53625846e-11, -4.63690631e-02, 4.63690631e-02]))
('conv_angle', 88.570123960059135)
('Site fractions', array([ 3.32153584e-01, 9.47535726e-02, 5.73092843e-01,
1.00000000e+00, 9.25582535e-01, 6.29657956e-11,
7.44174646e-02, 4.07068965e-11, 1.00000000e+00,
5.63625846e-11]))
('Phase fractions', array([ 0.89489905, 0.10510095]))
('Chemical potentials', array([-40628.50368706, -39505.12134177, -42790.89505868]))
('Chem pot progress', array([ 199.01740682, -419.8369325 , -97.05770201]))
('Energy progress', -9.731428542494541)
('Driving force', 15.501625856755709)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.33215358 0.09475357 0.57309284], NP=0.8948990538653696), CompositionSet(LAVES_C15, [ 0.61705502 0.33333333 0.04961164], NP=0.10510094613463045)])
('reduced_hessian eigenvalues', array([ 2.54897952e+03, 4.28810249e+03, 1.72223395e+12,
5.35375639e+12, 5.44189850e+12]))
('NEW_L_MULTIPLIERS', array([ 6249.98412037, -24994.2703314 , -843.63959488, -2422.09690048,
-40606.16773849, -39511.30783135, -42778.0562511 ]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, -2.77555756e-17,
3.28370537e-18, 2.09699503e-03, -1.71468862e-04,
-1.92552617e-03]))
('penalty', 10000)
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1.00000000e+00, 8.77232635e-01, 2.53446529e-02,
9.74227116e-02, 5.49471004e-06, 9.97267791e-01,
2.72671443e-03]))
('Phase fractions', array([ 0.87798234, 0.12201766]))
('Chemical potentials', array([-40739.58306448, -39702.11166275, -42671.61490893]))
('Chem pot progress', array([ 17.25441867, -18.79249013, -7.09163427]))
('Energy progress', -1.5671092207194306)
('Driving force', 1.1059159643846215)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32875679 0.08812894 0.58311428], NP=0.8779823352593984), CompositionSet(LAVES_C15, [ 0.58482359 0.34931903 0.06585738], NP=0.12201766474060152)])
('reduced_hessian eigenvalues', array([ 2.52467956e+03, 3.77370336e+03, 1.60831496e+04,
5.40097390e+04, 3.57637216e+07]))
('NEW_L_MULTIPLIERS', array([ 5968.14957658, -24626.13629221, -953.28132987, -2748.31828195,
-40726.73060456, -39700.02861451, -42679.20610104]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -1.38777878e-17,
-1.56125113e-17, 1.45998230e-06, -1.25724000e-06,
-2.02742305e-07]))
('penalty', 10000)
('old_driving_force', -41618.60795746091, 1.4599823009442403e-06)
('sublsum', -0.18414974956491423)
(1.0, -41618.691490077385, 2.0855832991717449e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32927377 0.08812203 0.5826042 ], NP=0.8788186406845625), CompositionSet(LAVES_C15, [ 0.58284676 0.35116921 0.06598403], NP=0.1211813593154375)])
('step', array([ 5.16978430e-04, -6.90476749e-06, -5.10073663e-04,
0.00000000e+00, -2.96525093e-03, 2.84881999e-03,
1.16430934e-04, 1.98219239e-08, -1.47110948e-04,
1.47091126e-04, 8.36305425e-04, -8.36305425e-04]))
('conv_angle', 62.17255908491056)
('Site fractions', array([ 3.29273765e-01, 8.81220326e-02, 5.82604202e-01,
1.00000000e+00, 8.74267385e-01, 2.81934729e-02,
9.75391426e-02, 5.51453197e-06, 9.97120680e-01,
2.87380556e-03]))
('Phase fractions', array([ 0.87881864, 0.12118136]))
('Chemical potentials', array([-40726.73060456, -39700.02861451, -42679.20610104]))
('Chem pot progress', array([ 12.85245992, 2.08304824, -7.59119211]))
('Energy progress', -0.09570454658387462)
('Driving force', 0.080422182873007841)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32927377 0.08812203 0.5826042 ], NP=0.8788186406845625), CompositionSet(LAVES_C15, [ 0.58284676 0.35116921 0.06598403], NP=0.1211813593154375)])
('reduced_hessian eigenvalues', array([ 2.50737644e+03, 3.70008552e+03, 1.44704136e+04,
5.08985575e+04, 3.53910918e+07]))
('NEW_L_MULTIPLIERS', array([ 5968.96763128, -24628.02985826, -952.6041547 , -2746.16281822,
-40725.69441329, -39699.64618496, -42679.85858882]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -4.16333634e-17,
-3.51281504e-17, 2.08558330e-06, -1.55308701e-06,
-5.32496288e-07]))
('penalty', 10000)
('old_driving_force', -41618.691491991951, 2.0855832991717449e-06)
('sublsum', -0.00084745450340201623)
(1.0, -41618.733346510184, 1.4109509338666726e-08)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32931335 0.08812912 0.58255753], NP=0.8788976582167883), CompositionSet(LAVES_C15, [ 0.58270779 0.35130217 0.06599004], NP=0.12110234178321165)])
('step', array([ 3.95894855e-05, 7.08418749e-06, -4.66736730e-05,
0.00000000e+00, -2.08458909e-04, 2.04000588e-04,
4.45832099e-06, 1.00304182e-09, -9.11037740e-06,
9.10937436e-06, 7.90175322e-05, -7.90175322e-05]))
('conv_angle', 67.204017058365778)
('Site fractions', array([ 3.29313355e-01, 8.81291167e-02, 5.82557529e-01,
1.00000000e+00, 8.74058926e-01, 2.83974735e-02,
9.75436009e-02, 5.51553501e-06, 9.97111570e-01,
2.88291493e-03]))
('Phase fractions', array([ 0.87889766, 0.12110234]))
('Chemical potentials', array([-40725.69441329, -39699.64618496, -42679.85858882]))
('Chem pot progress', array([ 1.03619128, 0.38242955, -0.65248777]))
('Energy progress', 0.00012584363867063075)
('Driving force', 0.00036846322473138571)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32931335 0.08812912 0.58255753], NP=0.8788976582167883), CompositionSet(LAVES_C15, [ 0.58270779 0.35130217 0.06599004], NP=0.12110234178321165)])
('reduced_hessian eigenvalues', array([ 2.50549912e+03, 3.69034375e+03, 1.43653836e+04,
5.07050825e+04, 3.53616288e+07]))
('NEW_L_MULTIPLIERS', array([ 5968.97214373, -24628.0385853 , -952.60074311, -2746.15163363,
-40725.68951313, -39699.64431159, -42679.861705 ]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 5.55111512e-17,
6.63531730e-17, 1.41095093e-08, -9.94668048e-09,
-4.16282886e-09]))
('penalty', 10000)
('old_driving_force', -41618.733346510249, 1.4109509338666726e-08)
('sublsum', -1.8244101372613586e-08)
(1.0, -41618.73362870283, 3.3562042034418482e-13)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32931354 0.08812916 0.58255729], NP=0.8788980577230171), CompositionSet(LAVES_C15, [ 0.58270714 0.35130279 0.06599007], NP=0.12110194227698277)])
('step', array([ 1.88861592e-07, 4.59371196e-08, -2.34798712e-07,
0.00000000e+00, -9.76866835e-07, 9.46323054e-07,
3.05437812e-08, 9.30019867e-12, -4.18496452e-08,
4.18403449e-08, 3.99506229e-07, -3.99506229e-07]))
('conv_angle', 68.694531277572992)
('Site fractions', array([ 3.29313544e-01, 8.81291627e-02, 5.82557294e-01,
1.00000000e+00, 8.74057949e-01, 2.83984198e-02,
9.75436314e-02, 5.51554431e-06, 9.97111528e-01,
2.88295678e-03]))
('Phase fractions', array([ 0.87889806, 0.12110194]))
('Chemical potentials', array([-40725.68951313, -39699.64431159, -42679.861705 ]))
('Chem pot progress', array([ 0.00490016, 0.00187338, -0.00311618]))
('Energy progress', 2.061729901470244e-06)
('Driving force', 7.8580342233181e-09)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.32931354 0.08812916 0.58255729], NP=1.0), 8.221832104027271e-10), (CompositionSet(BCC_A2, [ 0.32931354 0.08812916 0.58255729], NP=1.0), 8.149072527885437e-10), (CompositionSet(BCC_A2, [ 0.32931354 0.08812916 0.58255729], NP=1.0), 8.149072527885437e-10), (CompositionSet(BCC_A2, [ 0.32931354 0.08812916 0.58255729], NP=1.0), 8.149072527885437e-10), (CompositionSet(BCC_A2, [ 0.32931354 0.08812916 0.58255729], NP=1.0), 8.221832104027271e-10), (CompositionSet(BCC_A2, [ 0.32931354 0.08812916 0.58255729], NP=1.0), 8.149072527885437e-10), (CompositionSet(BCC_A2, [ 0.32931354 0.08812916 0.5825573 ], NP=1.0), 7.930793799459934e-10)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.58270714 0.35130279 0.06599007], NP=1.0), -7.077323971316218e-08), (CompositionSet(LAVES_C15, [ 0.58270714 0.35130279 0.06599007], NP=1.0), -7.08096195012331e-08)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=0.969453252610273), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.030546747389726955)])
('reduced_hessian eigenvalues', array([ 6.57657146e+02, 2.89717293e+03, 1.70746687e+13,
5.12244459e+13, 6.82769795e+13]))
('NEW_L_MULTIPLIERS', array([ 6488.72369846, -25439.39130135, -693.53816283, -2025.21708121,
-40707.4606614 , -39411.49616821, -42765.76522766]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, 1.02365304e-02, -2.15435477e-02,
1.13070173e-02]))
('penalty', 10000)
('old_driving_force', -41184.172829068142, 0.021543547654755496)
('sublsum', -20.359115284361526)
(1.0, -41552.727010958217, 0.0034455174558225554)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32737207 0.0992767 0.57335123], NP=0.9134281542668475), CompositionSet(LAVES_C15, [ 0.62854903 0.33333333 0.03811763], NP=0.08657184573315234)])
('step', array([ -2.55430926e-02, 8.22104316e-03, 1.73220494e-02,
0.00000000e+00, 5.39346625e-02, 9.82506256e-11,
-5.39346626e-02, 6.28459672e-11, -1.50505215e-10,
8.76594498e-11, -5.60250983e-02, 5.60250983e-02]))
('conv_angle', 87.353744623122012)
('Site fractions', array([ 3.27372072e-01, 9.92767005e-02, 5.73351228e-01,
1.00000000e+00, 9.42823551e-01, 9.92506256e-11,
5.71764485e-02, 6.38459672e-11, 1.00000000e+00,
8.86594498e-11]))
('Phase fractions', array([ 0.91342815, 0.08657185]))
('Chemical potentials', array([-40707.4606614 , -39411.49616821, -42765.76522766]))
('Chem pot progress', array([ 120.06043248, -326.21175894, -71.92787098]))
('Energy progress', -8.4900499353389023)
('Driving force', 21.208982257317984)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32737207 0.0992767 0.57335123], NP=0.9134281542668475), CompositionSet(LAVES_C15, [ 0.62854903 0.33333333 0.03811763], NP=0.08657184573315234)])
('reduced_hessian eigenvalues', array([ 2.13322165e+03, 4.94540520e+03, 9.03118213e+11,
2.80324711e+12, 2.85606700e+12]))
('NEW_L_MULTIPLIERS', array([ 6479.89143812, -25495.20606129, -678.84690599, -1971.45516907,
-40685.5359125 , -39426.25222971, -42747.13369323]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -2.08166817e-17,
3.66771323e-17, 3.44551746e-03, -4.60584751e-04,
-2.98493271e-03]))
('penalty', 10000)
('old_driving_force', -41552.753735603706, 0.0034455174558225554)
('sublsum', -5.5029331215058885)
(1.0, -41624.000772219209, 3.9960512016712357e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32603178 0.1003682 0.57360002], NP=0.9157199955008962), CompositionSet(LAVES_C15, [ 0.61086425 0.33333333 0.05580242], NP=0.08428000449910378)])
('step', array([ -1.34029515e-03, 1.09149838e-03, 2.48796779e-04,
0.00000000e+00, -2.65271755e-02, 1.87221388e-09,
2.65271737e-02, 6.94444298e-10, -2.15669773e-09,
1.46225339e-09, 2.29184123e-03, -2.29184123e-03]))
('conv_angle', 89.089324056068634)
('Site fractions', array([ 3.26031777e-01, 1.00368199e-01, 5.73600024e-01,
1.00000000e+00, 9.16296376e-01, 1.97146451e-09,
8.37036222e-02, 7.58290266e-10, 9.99999998e-01,
1.55091284e-09]))
('Phase fractions', array([ 0.91572, 0.08428]))
('Chemical potentials', array([-40685.5359125 , -39426.25222971, -42747.13369323]))
('Chem pot progress', array([ 21.9247489 , -14.75606149, 18.63153443]))
('Energy progress', -8.624088867560204)
('Driving force', 2.2687118925750838)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32603178 0.1003682 0.57360002], NP=0.9157199955008962), CompositionSet(LAVES_C15, [ 0.61086425 0.33333333 0.05580242], NP=0.08428000449910378)])
('reduced_hessian eigenvalues', array([ 2.18274853e+03, 3.51084628e+03, 5.57823114e+10,
1.37415941e+11, 2.10925859e+11]))
('NEW_L_MULTIPLIERS', array([ 6509.78600373, -25540.34344089, -665.25314125, -1917.30504077,
-40654.39613032, -39411.13642202, -42767.36439783]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, -4.16333634e-17,
1.10362222e-16, 3.74589722e-05, 2.50153977e-06,
-3.99605120e-05]))
('penalty', 10000)
('old_driving_force', -41624.002784925549, 3.9960512016712357e-05)
('sublsum', -0.32942861570700133)
(1.0, -41624.706166281539, 1.3381856591276886e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32708487 0.10090357 0.57201155], NP=0.9178351449644261), CompositionSet(LAVES_C15, [ 0.60612604 0.33333335 0.06054062], NP=0.0821648550355738)])
('step', array([ 1.05309580e-03, 5.35374955e-04, -1.58847076e-03,
0.00000000e+00, -7.10732250e-03, 3.15100097e-08,
7.10729099e-03, 6.48653771e-09, -2.78198993e-08,
2.13333615e-08, 2.11514946e-03, -2.11514946e-03]))
('conv_angle', 89.765259317923011)
('Site fractions', array([ 3.27084873e-01, 1.00903574e-01, 5.72011554e-01,
1.00000000e+00, 9.09189053e-01, 3.34814742e-08,
9.08109132e-02, 7.24482798e-09, 9.99999970e-01,
2.28842743e-08]))
('Phase fractions', array([ 0.91783514, 0.08216486]))
('Chemical potentials', array([-40654.39613032, -39411.13642202, -42767.36439783]))
('Chem pot progress', array([ 31.13978218, 15.11580768, -20.2307046 ]))
('Energy progress', -0.22967033256281866)
('Driving force', 0.1043436920735985)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32708487 0.10090357 0.57201155], NP=0.9178351449644261), CompositionSet(LAVES_C15, [ 0.60612604 0.33333335 0.06054062], NP=0.0821648550355738)])
('reduced_hessian eigenvalues', array([ 2.12438685e+03, 3.23646043e+03, 3.94229388e+09,
7.88982567e+09, 2.01231209e+10]))
('NEW_L_MULTIPLIERS', array([ 6512.47062518, -25544.68106796, -663.81544094, -1912.50582709,
-40652.18557381, -39410.00065846, -42768.89247891]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 1.38777878e-17,
-4.50954286e-17, 1.22494834e-05, 1.13237323e-06,
-1.33818566e-05]))
('penalty', 10000)
('old_driving_force', -41624.706215094389, 1.3381856591276886e-05)
('sublsum', -0.0044801213010642995)
(1.0, -41624.975474388026, 8.6265493082215983e-08)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32715959 0.10095221 0.5718882 ], NP=0.918032134730171), CompositionSet(LAVES_C15, [ 0.60581127 0.33333355 0.06085518], NP=0.08196786526982892)])
('step', array([ 7.47207127e-05, 4.86334936e-05, -1.23354206e-04,
0.00000000e+00, -4.72169332e-04, 4.53005678e-07,
4.71716326e-04, 4.71285880e-08, -3.07820929e-07,
2.60692341e-07, 1.96989766e-04, -1.96989766e-04]))
('conv_angle', 89.942079217968526)
('Site fractions', array([ 3.27159593e-01, 1.00952207e-01, 5.71888199e-01,
1.00000000e+00, 9.08716884e-01, 4.86487152e-07,
9.12826295e-02, 5.43734160e-08, 9.99999662e-01,
2.83576615e-07]))
('Phase fractions', array([ 0.91803213, 0.08196787]))
('Chemical potentials', array([-40652.18557381, -39410.00065846, -42768.89247891]))
('Chem pot progress', array([ 2.21055651, 1.13576357, -1.52808108]))
('Energy progress', -0.03288510640413733)
('Driving force', 0.00084397457976592705)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32715959 0.10095221 0.5718882 ], NP=0.918032134730171), CompositionSet(LAVES_C15, [ 0.60581127 0.33333355 0.06085518], NP=0.08196786526982892)])
('reduced_hessian eigenvalues', array([ 2.11807531e+03, 3.22145718e+03, 3.31035113e+08,
5.41710083e+08, 2.56446077e+09]))
('NEW_L_MULTIPLIERS', array([ 6511.87758282, -25543.7031742 , -664.14329949, -1913.50049171,
-40652.59724729, -39410.27540283, -42768.60881888]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, -5.55111512e-17,
1.13383301e-17, 7.67244717e-08, 9.54102136e-09,
-8.62654931e-08]))
('penalty', 10000)
('old_driving_force', -41624.975474329352, 8.6265493082215983e-08)
('sublsum', -0.0275587598334632)
(1.0, -41625.000341768493, 6.3344796075170962e-10)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32714729 0.1009409 0.57191181], NP=0.917988431326623), CompositionSet(LAVES_C15, [ 0.60579955 0.33333615 0.06086429], NP=0.08201156867337703)])
('step', array([ -1.23022355e-05, -1.13059746e-05, 2.36082101e-05,
0.00000000e+00, -1.77069492e-05, 5.29891757e-06,
1.24080316e-05, 2.45099573e-07, -2.77092969e-06,
2.52583011e-06, -4.37034035e-05, 4.37034035e-05]))
('conv_angle', 85.368999576263406)
('Site fractions', array([ 3.27147291e-01, 1.00940901e-01, 5.71911808e-01,
1.00000000e+00, 9.08699177e-01, 5.78540472e-06,
9.12950375e-02, 2.99472989e-07, 9.99996891e-01,
2.80940673e-06]))
('Phase fractions', array([ 0.91798843, 0.08201157]))
('Chemical potentials', array([-40652.59724729, -39410.27540283, -42768.60881888]))
('Chem pot progress', array([-0.41167348, -0.27474437, 0.28366004]))
('Energy progress', -0.023347094167547766)
('Driving force', 0.0044044580281479284)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32714729 0.1009409 0.57191181], NP=0.917988431326623), CompositionSet(LAVES_C15, [ 0.60579955 0.33333615 0.06086429], NP=0.08201156867337703)])
('reduced_hessian eigenvalues', array([ 2.11708339e+03, 3.21177554e+03, 3.42962223e+07,
4.55765707e+07, 4.54115596e+08]))
('NEW_L_MULTIPLIERS', array([ 6507.75013631, -25536.91621341, -666.40829543, -1920.38384154,
-40655.44226334, -39412.17646652, -42766.64588188]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 4.16333634e-17,
-6.02884171e-17, 2.53175259e-11, 6.08130379e-10,
-6.33447961e-10]))
('penalty', 10000)
('old_driving_force', -41625.000341766026, 6.3344796075170962e-10)
('sublsum', -0.18791483181605306)
(1.0, -41625.153456873297, 3.3451812431195549e-08)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32706248 0.10086193 0.57207558], NP=0.9176856920750094), CompositionSet(LAVES_C15, [ 0.6057202 0.33336222 0.06091757], NP=0.08231430792499064)])
('step', array([ -8.48068277e-05, -7.89699886e-05, 1.63776816e-04,
0.00000000e+00, -1.19440261e-04, 4.88406001e-05,
7.05996609e-05, 8.41595489e-07, -1.94813928e-05,
1.86397973e-05, -3.02739252e-04, 3.02739252e-04]))
('conv_angle', 83.996746684360573)
('Site fractions', array([ 3.27062484e-01, 1.00861931e-01, 5.72075584e-01,
1.00000000e+00, 9.08579737e-01, 5.46260048e-05,
9.13656372e-02, 1.14106848e-06, 9.99977410e-01,
2.14492041e-05]))
('Phase fractions', array([ 0.91768569, 0.08231431]))
('Chemical potentials', array([-40655.44226334, -39412.17646652, -42766.64588188]))
('Chem pot progress', array([-2.84501605, -1.90106369, 1.96293699]))
('Energy progress', -0.15366341014305362)
('Driving force', 0.034159640992584173)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32706248 0.10086193 0.57207558], NP=0.9176856920750094), CompositionSet(LAVES_C15, [ 0.6057202 0.33336222 0.06091757], NP=0.08231430792499064)])
('reduced_hessian eigenvalues', array([ 2.11306075e+03, 3.18380155e+03, 4.57538159e+06,
4.84532162e+06, 1.17870780e+08]))
('NEW_L_MULTIPLIERS', array([ 6487.45253416, -25503.78536211, -677.43014509, -1953.87148499,
-40669.27000576, -39421.58757381, -42757.08175573]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 2.77555756e-17,
1.94106070e-17, 1.65311337e-09, 3.17986990e-08,
-3.34518124e-08]))
('penalty', 10000)
('old_driving_force', -41625.153456231244, 3.3451812431195549e-08)
('sublsum', -0.93359604194915313)
(1.0, -41625.875677706841, 8.6941717961086518e-07)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32665481 0.10046937 0.57287581], NP=0.9162053298725752), CompositionSet(LAVES_C15, [ 0.60525366 0.33355696 0.06118938], NP=0.08379467012742495)])
('step', array([ -4.07669882e-04, -3.92559657e-04, 8.00229540e-04,
0.00000000e+00, -7.00666494e-04, 3.43019059e-04,
3.57647435e-04, 1.70297594e-06, -1.01816162e-04,
1.00113186e-04, -1.48036220e-03, 1.48036220e-03]))
('conv_angle', 81.676583829356048)
('Site fractions', array([ 3.26654814e-01, 1.00469372e-01, 5.72875814e-01,
1.00000000e+00, 9.07879070e-01, 3.97645064e-04,
9.17232846e-02, 2.84404442e-06, 9.99875594e-01,
1.21562390e-04]))
('Phase fractions', array([ 0.91620533, 0.08379467]))
('Chemical potentials', array([-40669.27000576, -39421.58757381, -42757.08175573]))
('Chem pot progress', array([-13.82774242, -9.41110729, 9.56412615]))
('Energy progress', -0.7363323239915189)
('Driving force', 0.19527536135865375)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32665481 0.10046937 0.57287581], NP=0.9162053298725752), CompositionSet(LAVES_C15, [ 0.60525366 0.33355696 0.06118938], NP=0.08379467012742495)])
('reduced_hessian eigenvalues', array([ 2.10220566e+03, 3.12211977e+03, 6.78020246e+05,
8.28207841e+05, 4.77648646e+07]))
('NEW_L_MULTIPLIERS', array([ 6420.12781227, -25395.51896011, -713.12587249, -2062.42805325,
-40714.04774392, -39453.51902457, -42725.96401798]))
('L_CONSTRAINTS', array([ -2.22044605e-16, 0.00000000e+00, -5.55111512e-17,
-4.82063391e-17, -8.71540376e-08, 8.69417180e-07,
-7.82263142e-07]))
('penalty', 10000)
('old_driving_force', -41625.87562950539, 8.6941717961086518e-07)
('sublsum', -3.1951555017279927)
(1.0, -41628.078852933315, 1.1564828681365213e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32536351 0.0991379 0.57549859], NP=0.9113536503355099), CompositionSet(LAVES_C15, [ 0.60324298 0.33460916 0.06214786], NP=0.08864634966449013)])
('step', array([ -1.29130544e-03, -1.33147499e-03, 2.62278044e-03,
0.00000000e+00, -3.01687135e-03, 1.76428309e-03,
1.25258826e-03, 1.70363277e-06, -3.71965240e-04,
3.70261607e-04, -4.85167954e-03, 4.85167954e-03]))
('conv_angle', 77.444137569477164)
('Site fractions', array([ 3.25363509e-01, 9.91378968e-02, 5.75498594e-01,
1.00000000e+00, 9.04862199e-01, 2.16192815e-03,
9.29758729e-02, 4.54767719e-06, 9.99503628e-01,
4.91823997e-04]))
('Phase fractions', array([ 0.91135365, 0.08864635]))
('Chemical potentials', array([-40714.04774392, -39453.51902457, -42725.96401798]))
('Chem pot progress', array([-44.77773816, -31.93145076, 31.11773775]))
('Energy progress', -2.3889781019388465)
('Driving force', 0.7897733453719411)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32536351 0.0991379 0.57549859], NP=0.9113536503355099), CompositionSet(LAVES_C15, [ 0.60324298 0.33460916 0.06214786], NP=0.08864634966449013)])
('reduced_hessian eigenvalues', array([ 2.08625499e+03, 3.15217852e+03, 1.32440664e+05,
2.17288862e+05, 3.14830714e+07]))
('NEW_L_MULTIPLIERS', array([ 6293.82353934, -25200.6210405 , -775.62258931, -2253.36088236,
-40793.16812032, -39518.25846582, -42670.23301087]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 5.55111512e-17,
7.91467586e-18, -3.49017328e-06, 1.15648287e-05,
-8.07465540e-06]))
('penalty', 10000)
('old_driving_force', -41628.077930367916, 1.1564828681365213e-05)
('sublsum', -6.6275874822608536)
(1.0, -41631.833054994422, 5.6156858003378329e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32324376 0.09648725 0.58026898], NP=0.9025464272255178), CompositionSet(LAVES_C15, [ 0.59746701 0.33833475 0.06419824], NP=0.09745357277448229)])
('step', array([ -2.11974538e-03, -2.65064208e-03, 4.77038746e-03,
0.00000000e+00, -8.66427148e-03, 6.00977106e-03,
2.65450042e-03, 6.32999268e-07, -8.42785942e-04,
8.42152942e-04, -8.80722311e-03, 8.80722311e-03]))
('conv_angle', 70.106799268763595)
('Site fractions', array([ 3.23243764e-01, 9.64872547e-02, 5.80268982e-01,
1.00000000e+00, 8.96197927e-01, 8.17169921e-03,
9.56303733e-02, 5.18067646e-06, 9.98660842e-01,
1.33397694e-03]))
('Phase fractions', array([ 0.90254643, 0.09745357]))
('Chemical potentials', array([-40793.16812032, -39518.25846582, -42670.23301087]))
('Chem pot progress', array([-79.12037639, -64.73944125, 55.73100711]))
('Energy progress', -4.560304705359158)
('Driving force', 2.0671616181207355)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32324376 0.09648725 0.58026898], NP=0.9025464272255178), CompositionSet(LAVES_C15, [ 0.59746701 0.33833475 0.06419824], NP=0.09745357277448229)])
('reduced_hessian eigenvalues', array([ 2.11898679e+03, 3.40917655e+03, 3.89109765e+04,
8.81655907e+04, 3.03339347e+07]))
('NEW_L_MULTIPLIERS', array([ 6207.51022017, -25089.20900831, -807.52830538, -2350.73943129,
-40831.6261283 , -39572.68846686, -42640.26584201]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -2.77555756e-17,
2.49366500e-17, -3.22011859e-05, 5.61568580e-05,
-2.39556721e-05]))
('penalty', 10000)
('old_driving_force', -41631.830518886374, 5.6156858003378329e-05)
('sublsum', -6.0540366946749984)
(1.0, -41635.81914580072, 4.7295807529157408e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.322634 0.09428367 0.58308233], NP=0.8972991451275601), CompositionSet(LAVES_C15, [ 0.58867938 0.34514455 0.06617607], NP=0.10270085487243989)])
('step', array([ -6.09762864e-04, -2.20358607e-03, 2.81334894e-03,
0.00000000e+00, -1.31815380e-02, 1.06903249e-02,
2.49121310e-03, 1.76144723e-07, -9.51233777e-04,
9.51057633e-04, -5.24728210e-03, 5.24728210e-03]))
('conv_angle', 57.940318929940574)
('Site fractions', array([ 3.22634001e-01, 9.42836686e-02, 5.83082331e-01,
1.00000000e+00, 8.83016389e-01, 1.88620241e-02,
9.81215864e-02, 5.35682118e-06, 9.97709609e-01,
2.28503457e-03]))
('Phase fractions', array([ 0.89729915, 0.10270085]))
('Chemical potentials', array([-40831.6261283 , -39572.68846686, -42640.26584201]))
('Chem pot progress', array([-38.45800799, -54.43000104, 29.96716886]))
('Energy progress', -3.857959130764357)
('Driving force', 2.3675952456396772)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.322634 0.09428367 0.58308233], NP=0.8972991451275601), CompositionSet(LAVES_C15, [ 0.58867938 0.34514455 0.06617607], NP=0.10270085487243989)])
('reduced_hessian eigenvalues', array([ 2.15058734e+03, 3.57734055e+03, 1.79820499e+04,
5.42616797e+04, 3.08993586e+07]))
('NEW_L_MULTIPLIERS', array([ 6205.7723276 , -25110.59990727, -797.65379284, -2317.71510311,
-40812.60428864, -39580.50450683, -42649.72493485]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -2.77555756e-17,
5.63785130e-17, -4.29115932e-05, 4.72958075e-05,
-4.38421436e-06]))
('penalty', 10000)
('old_driving_force', -41635.818001348045, 4.7295807529157408e-05)
('sublsum', -1.6807455081315723)
(1.0, -41637.615570568909, 4.9163696135279267e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32357415 0.09382846 0.58259739], NP=0.8980129880108485), CompositionSet(LAVES_C15, [ 0.58273234 0.35040485 0.06686282], NP=0.1019870119891516)])
('step', array([ 9.40146212e-04, -4.55207350e-04, -4.84938862e-04,
0.00000000e+00, -8.92060314e-03, 8.13587916e-03,
7.84723979e-04, 8.31340752e-08, -4.90878534e-04,
4.90795399e-04, 7.13842883e-04, -7.13842883e-04]))
('conv_angle', 53.09703823122414)
('Site fractions', array([ 3.23574147e-01, 9.38284612e-02, 5.82597392e-01,
1.00000000e+00, 8.74095786e-01, 2.69979033e-02,
9.89063104e-02, 5.43995526e-06, 9.97218730e-01,
2.77582997e-03]))
('Phase fractions', array([ 0.89801299, 0.10198701]))
('Chemical potentials', array([-40812.60428864, -39580.50450683, -42649.72493485]))
('Chem pot progress', array([ 19.02183967, -7.81603997, -9.45909284]))
('Energy progress', -1.0197983088364708)
('Driving force', 0.71235935214644996)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32357415 0.09382846 0.58259739], NP=0.8980129880108485), CompositionSet(LAVES_C15, [ 0.58273234 0.35040485 0.06686282], NP=0.1019870119891516)])
('reduced_hessian eigenvalues', array([ 2.11190736e+03, 3.50195034e+03, 1.26573051e+04,
4.43675683e+04, 3.02132504e+07]))
('NEW_L_MULTIPLIERS', array([ 6212.79432978, -25127.64024069, -791.50481769, -2298.02337705,
-40802.78804374, -39577.75977628, -42655.64172057]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 2.77555756e-17,
7.37257477e-18, 4.91636961e-06, -4.07996944e-06,
-8.36400175e-07]))
('penalty', 10000)
('old_driving_force', -41637.615612579582, 4.9163696135279267e-06)
('sublsum', -0.08812327946154562)
(1.0, -41637.732599602481, 1.3438491701656119e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32394637 0.09387017 0.58218346], NP=0.8987164226263273), CompositionSet(LAVES_C15, [ 0.58119415 0.35184726 0.06695859], NP=0.10128357737367255)])
('step', array([ 3.72221574e-04, 4.17111336e-05, -4.13932707e-04,
0.00000000e+00, -2.30729108e-03, 2.21705726e-03,
9.02338148e-05, 1.41215968e-08, -1.06871172e-04,
1.06857051e-04, 7.03434615e-04, -7.03434615e-04]))
('conv_angle', 65.978619478898366)
('Site fractions', array([ 3.23946368e-01, 9.38701724e-02, 5.82183459e-01,
1.00000000e+00, 8.71788495e-01, 2.92149606e-02,
9.89965442e-02, 5.45407685e-06, 9.97111859e-01,
2.88268702e-03]))
('Phase fractions', array([ 0.89871642, 0.10128358]))
('Chemical potentials', array([-40802.78804374, -39577.75977628, -42655.64172057]))
('Chem pot progress', array([ 9.81624489, 2.74473056, -5.91678572]))
('Energy progress', -0.042630954318156)
('Driving force', 0.037623781070578843)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32394637 0.09387017 0.58218346], NP=0.8987164226263273), CompositionSet(LAVES_C15, [ 0.58119415 0.35184726 0.06695859], NP=0.10128357737367255)])
('reduced_hessian eigenvalues', array([ 2.09082465e+03, 3.45192487e+03, 1.16860716e+04,
4.24302713e+04, 2.99272433e+07]))
('NEW_L_MULTIPLIERS', array([ 6213.326656 , -25128.76807764, -791.10629232, -2296.77076024,
-40802.20448818, -39577.52581977, -42656.009487 ]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, -1.38777878e-17,
-2.68882139e-17, 1.34384917e-06, -9.85303200e-07,
-3.58545970e-07]))
('penalty', 10000)
('old_driving_force', -41637.732600288036, 1.3438491701656119e-06)
('sublsum', -0.0002384829954611404)
(1.0, -41637.759498438907, 4.9150918890461526e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32396772 0.09387609 0.58215619], NP=0.8987639064241084), CompositionSet(LAVES_C15, [ 0.58111199 0.35192546 0.06696255], NP=0.10123609357589176)])
('step', array([ 2.13552092e-05, 5.91385372e-06, -2.72690629e-05,
0.00000000e+00, -1.23233917e-04, 1.19879423e-04,
3.35449405e-06, 6.84331778e-10, -5.16530684e-06,
5.16462251e-06, 4.74837978e-05, -4.74837978e-05]))
('conv_angle', 70.144621063489453)
('Site fractions', array([ 3.23967724e-01, 9.38760862e-02, 5.82156190e-01,
1.00000000e+00, 8.71665261e-01, 2.93348400e-02,
9.89998987e-02, 5.45476119e-06, 9.97106694e-01,
2.88785164e-03]))
('Phase fractions', array([ 0.89876391, 0.10123609]))
('Chemical potentials', array([-40802.20448818, -39577.52581977, -42656.009487 ]))
('Chem pot progress', array([ 0.58355556, 0.23395651, -0.36776643]))
('Energy progress', 0.00042108146590180695)
('Driving force', 0.00010060487693408504)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32396772 0.09387609 0.58215619], NP=0.8987639064241084), CompositionSet(LAVES_C15, [ 0.58111199 0.35192546 0.06696255], NP=0.10123609357589176)])
('reduced_hessian eigenvalues', array([ 2.08933926e+03, 3.44930398e+03, 1.16368157e+04,
4.23345670e+04, 2.99094767e+07]))
('NEW_L_MULTIPLIERS', array([ 6213.32807016, -25128.77217015, -791.10505851, -2296.76729976,
-40802.20307733, -39577.52484825, -42656.01044884]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.38777878e-17,
-1.20563282e-16, 4.91509189e-09, -3.43231848e-09,
-1.48277335e-09]))
('penalty', 10000)
('old_driving_force', -41637.759498438914, 4.9150918890461526e-09)
('sublsum', -1.8907165001001554e-09)
(1.0, -41637.759596740892, 4.113376306236205e-14)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32396778 0.0938761 0.58215611], NP=0.898764043828783), CompositionSet(LAVES_C15, [ 0.58111175 0.35192568 0.06696257], NP=0.10123595617121707)])
('step', array([ 6.06898264e-08, 1.82641776e-08, -7.89540039e-08,
0.00000000e+00, -3.57502203e-07, 3.38366864e-07,
1.91353393e-08, -2.47760447e-13, -1.07363327e-08,
1.07365806e-08, 1.37404675e-07, -1.37404675e-07]))
('conv_angle', 70.553326425586192)
('Site fractions', array([ 3.23967784e-01, 9.38761045e-02, 5.82156111e-01,
1.00000000e+00, 8.71664904e-01, 2.93351784e-02,
9.89999178e-02, 5.45476094e-06, 9.97106683e-01,
2.88786238e-03]))
('Phase fractions', array([ 0.89876404, 0.10123596]))
('Chemical potentials', array([-40802.20307733, -39577.52484825, -42656.01044884]))
('Chem pot progress', array([ 0.00141085, 0.00097151, -0.00096184]))
('Energy progress', 1.4537363313138485e-06)
('Driving force', 7.7852746471762657e-10)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.32396779 0.0938761 0.58215611], NP=1.0), 7.275957614183426e-11), (CompositionSet(BCC_A2, [ 0.32396778 0.09387611 0.58215611], NP=1.0), 8.731149137020111e-11), (CompositionSet(BCC_A2, [ 0.32396779 0.0938761 0.58215611], NP=1.0), 8.731149137020111e-11), (CompositionSet(BCC_A2, [ 0.32396778 0.0938761 0.58215611], NP=1.0), 9.458744898438454e-11), (CompositionSet(BCC_A2, [ 0.32396779 0.0938761 0.58215611], NP=1.0), 8.003553375601768e-11), (CompositionSet(BCC_A2, [ 0.32396778 0.0938761 0.58215611], NP=1.0), 8.731149137020111e-11), (CompositionSet(BCC_A2, [ 0.32396779 0.09387611 0.58215611], NP=1.0), 7.275957614183426e-11), (CompositionSet(BCC_A2, [ 0.32396779 0.0938761 0.58215611], NP=1.0), 8.731149137020111e-11), (CompositionSet(BCC_A2, [ 0.32396779 0.0938761 0.58215611], NP=1.0), 7.275957614183426e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.58111175 0.35192568 0.06696257], NP=1.0), -8.534698281437159e-09), (CompositionSet(LAVES_C15, [ 0.58111176 0.35192568 0.06696257], NP=1.0), -8.505594450980425e-09)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=0.9560609366603864), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.04393906333961369)])
('reduced_hessian eigenvalues', array([ 9.70060361e+02, 2.91653144e+03, 2.45576220e+13,
7.36742519e+13, 9.81642192e+13]))
('NEW_L_MULTIPLIERS', array([ 6505.67030752, -24893.86417969, -828.92182175, -2424.91684681,
-40770.74383628, -39277.7926791 , -42757.51830341]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, 1.34463662e-02, -2.82988885e-02,
1.48525223e-02]))
('penalty', 10000)
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2.21586627e-03]))
('Phase fractions', array([ 0.87954533, 0.12045467]))
('Chemical potentials', array([-40901.09677514, -39459.51126737, -42620.97201467]))
('Chem pot progress', array([-48.48159728, -55.25464817, 35.99698875]))
('Energy progress', -4.897390176563931)
('Driving force', 2.9342813574257889)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.31731758 0.10063841 0.58204401], NP=0.8795453252877469), CompositionSet(LAVES_C15, [ 0.58821221 0.34489284 0.06689494], NP=0.12045467471225323)])
('reduced_hessian eigenvalues', array([ 2.35481320e+03, 3.71216790e+03, 2.14793371e+04,
6.55901275e+04, 3.67010402e+07]))
('NEW_L_MULTIPLIERS', array([ 6189.26299859, -24543.90161158, -934.75234098, -2733.84709479,
-40883.03367457, -39472.20095265, -42628.89054288]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.38777878e-17,
-6.41847686e-17, -5.18945294e-05, 6.00010782e-05,
-8.10654881e-06]))
('penalty', 10000)
('old_driving_force', -41603.889846183665, 6.0001078218629988e-05)
('sublsum', -2.3892880524381037)
(1.0, -41606.412821255522, 1.9353756613993411e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.31835433 0.09985239 0.58179328], NP=0.8797998554718249), CompositionSet(LAVES_C15, [ 0.58164524 0.35065026 0.06770449], NP=0.12020014452817503)])
('step', array([ 1.03674873e-03, -7.86018387e-04, -2.50730343e-04,
0.00000000e+00, -9.85050146e-03, 8.90616395e-03,
9.44337511e-04, 9.60684420e-08, -5.40075573e-04,
5.39979504e-04, 2.54530184e-04, -2.54530184e-04]))
('conv_angle', 51.366438874832276)
('Site fractions', array([ 3.18354329e-01, 9.98523946e-02, 5.81793276e-01,
1.00000000e+00, 8.72465174e-01, 2.73560070e-02,
1.00178819e-01, 5.38272904e-06, 9.97238771e-01,
2.75584578e-03]))
('Phase fractions', array([ 0.87979986, 0.12020014]))
('Chemical potentials', array([-40883.03367457, -39472.20095265, -42628.89054288]))
('Chem pot progress', array([ 18.06310057, -12.68968528, -7.91852821]))
('Energy progress', -1.4623439628339838)
('Driving force', 1.0194634727376979)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.31835433 0.09985239 0.58179328], NP=0.8797998554718249), CompositionSet(LAVES_C15, [ 0.58164524 0.35065026 0.06770449], NP=0.12020014452817503)])
('reduced_hessian eigenvalues', array([ 2.35000358e+03, 3.57889879e+03, 1.46857777e+04,
5.26391789e+04, 3.59660308e+07]))
('NEW_L_MULTIPLIERS', array([ 6196.3234116 , -24563.58946344, -927.66076814, -2710.3369363 ,
-40870.66029678, -39470.14830828, -42636.04087828]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -5.55111512e-17,
1.02348685e-16, 1.93537566e-06, -1.66550193e-06,
-2.69873735e-07]))
('penalty', 10000)
('old_driving_force', -41606.412843713661, 1.9353756613993411e-06)
('sublsum', -0.14692348223169641)
(1.0, -41606.490668666178, 1.8577759424154294e-06)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.31884251 0.09984424 0.58131325], NP=0.8805958396311416), CompositionSet(LAVES_C15, [ 0.57979949 0.35238461 0.0678159 ], NP=0.11940416036885833)])
('step', array([ 4.88179444e-04, -8.15237172e-06, -4.80027072e-04,
0.00000000e+00, -2.76864365e-03, 2.66611474e-03,
1.02528907e-04, 1.81601001e-08, -1.29180320e-04,
1.29162160e-04, 7.95984159e-04, -7.95984159e-04]))
('conv_angle', 63.491072701505871)
('Site fractions', array([ 3.18842509e-01, 9.98442422e-02, 5.81313249e-01,
1.00000000e+00, 8.69696530e-01, 3.00221217e-02,
1.00281348e-01, 5.40088914e-06, 9.97109591e-01,
2.88500794e-03]))
('Phase fractions', array([ 0.88059584, 0.11940416]))
('Chemical potentials', array([-40870.66029678, -39470.14830828, -42636.04087828]))
('Chem pot progress', array([ 12.37337779, 2.05264437, -7.1503354 ]))
('Energy progress', -0.07552825685706921)
('Driving force', 0.063816469919402152)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.31884251 0.09984424 0.58131325], NP=0.8805958396311416), CompositionSet(LAVES_C15, [ 0.57979949 0.35238461 0.0678159 ], NP=0.11940416036885833)])
('reduced_hessian eigenvalues', array([ 2.33694525e+03, 3.50486739e+03, 1.33850976e+04,
4.99535781e+04, 3.56079557e+07]))
('NEW_L_MULTIPLIERS', array([ 6197.00921619, -24565.16474677, -927.11128206, -2708.56364175,
-40869.78321054, -39469.88465865, -42636.5753598 ]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, 1.38777878e-17,
2.03830008e-17, 1.85777594e-06, -1.38700406e-06,
-4.70771881e-07]))
('penalty', 10000)
('old_driving_force', -41606.490670181549, 1.8577759424154294e-06)
('sublsum', -0.00052673936727841517)
(1.0, -41606.527898405096, 9.563786762534221e-09)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.31887518 0.09984979 0.58127503], NP=0.8806612442877327), CompositionSet(LAVES_C15, [ 0.57968593 0.35249364 0.06782043], NP=0.11933875571226726)])
('step', array([ 3.26698822e-05, 5.54839049e-06, -3.82182727e-05,
0.00000000e+00, -1.70332870e-04, 1.67142511e-04,
3.19035890e-06, 8.06621246e-10, -7.20017241e-06,
7.19936579e-06, 6.54046566e-05, -6.54046566e-05]))
('conv_angle', 68.328525642742932)
('Site fractions', array([ 3.18875179e-01, 9.98497906e-02, 5.81275031e-01,
1.00000000e+00, 8.69526197e-01, 3.01892643e-02,
1.00284539e-01, 5.40169576e-06, 9.97102391e-01,
2.89220730e-03]))
('Phase fractions', array([ 0.88066124, 0.11933876]))
('Chemical potentials', array([-40869.78321054, -39469.88465865, -42636.5753598 ]))
('Chem pot progress', array([ 0.87708624, 0.26364963, -0.53448152]))
('Energy progress', 0.0008413933246629313)
('Driving force', 0.00022673045168630779)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.31887518 0.09984979 0.58127503], NP=0.8806612442877327), CompositionSet(LAVES_C15, [ 0.57968593 0.35249364 0.06782043], NP=0.11933875571226726)])
('reduced_hessian eigenvalues', array([ 2.33644511e+03, 3.50148736e+03, 1.33109109e+04,
4.98023240e+04, 3.55831766e+07]))
('NEW_L_MULTIPLIERS', array([ 6197.01104943, -24565.16978074, -927.10962133, -2708.55825425,
-40869.77994244, -39469.88373624, -42636.57735408]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, -1.38777878e-17,
-1.95156391e-17, 9.56378676e-09, -6.76806683e-09,
-2.79571977e-09]))
('penalty', 10000)
('old_driving_force', -41606.527898405126, 9.563786762534221e-09)
('sublsum', -6.5131604370637208e-09)
(1.0, -41606.52808968212, 1.0080825063596421e-13)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.31887528 0.0998498 0.58127492], NP=0.8806614446688765), CompositionSet(LAVES_C15, [ 0.57968553 0.35249403 0.06782044], NP=0.11933855533112335)])
('step', array([ 1.02719933e-07, 1.22704094e-08, -1.14990342e-07,
0.00000000e+00, -6.00356582e-07, 5.96624347e-07,
3.73223531e-09, 4.48201684e-12, -2.21189285e-08,
2.21144465e-08, 2.00381144e-07, -2.00381144e-07]))
('conv_angle', 66.202125570686064)
('Site fractions', array([ 3.18875282e-01, 9.98498029e-02, 5.81274916e-01,
1.00000000e+00, 8.69525597e-01, 3.01898609e-02,
1.00284542e-01, 5.40170024e-06, 9.97102369e-01,
2.89222942e-03]))
('Phase fractions', array([ 0.88066144, 0.11933856]))
('Chemical potentials', array([-40869.77994244, -39469.88373624, -42636.57735408]))
('Chem pot progress', array([ 0.0032681 , 0.0009224 , -0.00199427]))
('Energy progress', 4.531793820206076e-06)
('Driving force', 2.8667272999882698e-09)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.31887528 0.0998498 0.58127492], NP=1.0), 3.4924596548080444e-10), (CompositionSet(BCC_A2, [ 0.31887528 0.0998498 0.58127491], NP=1.0), 3.41970007866621e-10), (CompositionSet(BCC_A2, [ 0.31887529 0.0998498 0.58127492], NP=1.0), 3.4924596548080444e-10), (CompositionSet(BCC_A2, [ 0.31887528 0.0998498 0.58127492], NP=1.0), 3.2741809263825417e-10), (CompositionSet(BCC_A2, [ 0.31887528 0.0998498 0.58127491], NP=1.0), 3.4924596548080444e-10), (CompositionSet(BCC_A2, [ 0.31887528 0.0998498 0.58127492], NP=1.0), 3.346940502524376e-10), (CompositionSet(BCC_A2, [ 0.31887529 0.09984979 0.58127493], NP=1.0), 3.346940502524376e-10), (CompositionSet(BCC_A2, [ 0.31887528 0.0998498 0.58127492], NP=1.0), 3.41970007866621e-10), (CompositionSet(BCC_A2, [ 0.31887529 0.09984979 0.58127492], NP=1.0), 3.5652192309498787e-10)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57968553 0.35249403 0.06782044], NP=1.0), -2.6499037630856037e-08), (CompositionSet(LAVES_C15, [ 0.57968553 0.35249403 0.06782044], NP=1.0), -2.6535417418926954e-08)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.23633263 0.33641237 0.427255 ], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.35291516 0.09105566 0.55602918], NP=0.9842460722839005), CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.01575392771609947)])
('reduced_hessian eigenvalues', array([ 3.14865159e+02, 2.87644832e+03, 8.80664104e+12,
2.64199799e+13, 3.52236722e+13]))
('NEW_L_MULTIPLIERS', array([ 6672.25595993, -25265.08716493, -715.73992905, -2100.04442869,
-40885.58938674, -39222.70553783, -42704.73224917]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -1.52655666e-16,
-1.99922887e-16, 1.66910254e-02, -3.51275176e-02,
1.84364922e-02]))
('penalty', 10000)
('old_driving_force', -40891.284771801598, 0.035127517626082863)
('sublsum', -36.067891799246127)
(1.0, -41428.658972332087, 0.0076850303081608673)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.31686444 0.10854406 0.57459151], NP=0.9103035257075004), CompositionSet(LAVES_C15, [ 0.66047432 0.33333333 0.00619235], NP=0.08969647429249958)])
('step', array([ -3.60507292e-02, 1.74884003e-02, 1.85623289e-02,
0.00000000e+00, 1.01822587e-01, 1.97557975e-10,
-1.01822587e-01, 1.26198962e-10, -3.02277482e-10,
1.76078719e-10, -7.39425466e-02, 7.39425466e-02]))
('conv_angle', 86.824215977388647)
('Site fractions', array([ 3.16864435e-01, 1.08544058e-01, 5.74591507e-01,
1.00000000e+00, 9.90711476e-01, 1.98557975e-10,
9.28852396e-03, 1.27198962e-10, 1.00000000e+00,
1.77078719e-10]))
('Phase fractions', array([ 0.91030353, 0.08969647]))
('Chemical potentials', array([-40885.58938674, -39222.70553783, -42704.73224917]))
('Chem pot progress', array([ -58.06829287, -137.42112856, -10.8948925 ]))
('Energy progress', 17.295796643593349)
('Driving force', 51.200624976125255)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.31686444 0.10854406 0.57459151], NP=0.9103035257075004), CompositionSet(LAVES_C15, [ 0.66047432 0.33333333 0.00619235], NP=0.08969647429249958)])
('reduced_hessian eigenvalues', array([ 2.39051278e+03, 2.44417200e+04, 4.68839043e+11,
1.45128921e+12, 1.48389390e+12]))
('NEW_L_MULTIPLIERS', array([ 7098.12701933, -26136.89542651, -424.27451912, -1251.47243349,
-40552.31005058, -39122.81111866, -42877.58705044]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -2.77555756e-17,
-7.73944888e-17, 7.68503031e-03, -1.29313685e-03,
-6.39189346e-03]))
('penalty', 10000)
('old_driving_force', -41432.195926450477, 0.0076850303081608673)
('sublsum', -23.323901812185163)
(1.0, -41580.848733728846, 0.0009503499143783678)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.32342571 0.11926815 0.55730614], NP=0.9479789886281454), CompositionSet(LAVES_C15, [ 0.65253505 0.33333333 0.01413162], NP=0.05202101137185455)])
('step', array([ 6.56127916e-03, 1.07240899e-02, -1.72853690e-02,
0.00000000e+00, -1.19089048e-02, 2.14290079e-09,
1.19089027e-02, 7.28345738e-10, -2.35894315e-09,
1.63059749e-09, 3.76754629e-02, -3.76754629e-02]))
('conv_angle', 87.792416403431432)
('Site fractions', array([ 3.23425715e-01, 1.19268148e-01, 5.57306138e-01,
1.00000000e+00, 9.78802571e-01, 2.34145876e-09,
2.11974266e-02, 8.55544700e-10, 9.99999997e-01,
1.80767621e-09]))
('Phase fractions', array([ 0.94797899, 0.05202101]))
('Chemical potentials', array([-40552.31005058, -39122.81111866, -42877.58705044]))
('Chem pot progress', array([ 333.27933616, 99.89441917, -172.85480127]))
('Energy progress', -24.186190064865514)
('Driving force', -0.98373266163252993)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.32342571 0.11926815 0.55730614], NP=0.9479789886281454), CompositionSet(LAVES_C15, [ 0.65253505 0.33333333 0.01413162], NP=0.05202101137185455)])
('reduced_hessian eigenvalues', array([ 9.43349983e+02, 8.11030412e+03, 2.97501537e+10,
7.15809282e+10, 1.14704591e+11]))
('NEW_L_MULTIPLIERS', array([ 6390.1327948 , -24934.31196449, -831.47862864, -2507.41111697,
-41081.24059783, -39349.25374914, -42526.0450714 ]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, -4.16333634e-17,
8.79463426e-17, 5.46314889e-04, 4.04035026e-04,
-9.50349914e-04]))
('penalty', 10000)
('old_driving_force', -41580.134192452155, 0.0009503499143783678)
('sublsum', -21.595506186867706)
(1.0, -41579.528555944147, 0.0013936807968262799)
(0.5, -41599.705683946864, 0.00036923523710202799)
('alpha', 0.5)
('Phases', [CompositionSet(BCC_A2, [ 0.31502836 0.11301578 0.57195586], NP=0.921234351733559), CompositionSet(LAVES_C15, [ 0.63111003 0.33333335 0.03555662], NP=0.07876564826644096)])
('step', array([ -1.67947094e-02, -1.25047370e-02, 2.92994464e-02,
0.00000000e+00, -6.42750694e-02, 7.70171206e-08,
6.42749924e-02, 1.41969813e-08, -6.45779022e-08,
5.03809208e-08, -5.34892738e-02, 5.34892738e-02]))
('conv_angle', 87.724042883467845)
('Site fractions', array([ 3.15028360e-01, 1.13015779e-01, 5.71955861e-01,
1.00000000e+00, 9.46665036e-01, 4.08500190e-08,
5.33349229e-02, 7.95403535e-09, 9.99999965e-01,
2.69981366e-08]))
('Phase fractions', array([ 0.92123435, 0.07876565]))
('Chemical potentials', array([-41081.24059783, -39349.25374914, -42526.0450714 ]))
('Chem pot progress', array([-528.93054725, -226.44263048, 351.54197904]))
('Energy progress', -8.95780777609616)
('Driving force', 14.738289803863154)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.31502836 0.11301578 0.57195586], NP=0.921234351733559), CompositionSet(LAVES_C15, [ 0.63111003 0.33333335 0.03555662], NP=0.07876564826644096)])
('reduced_hessian eigenvalues', array([ 1.81364487e+03, 5.25257409e+03, 3.22872903e+09,
6.20088276e+09, 1.74351119e+10]))
('NEW_L_MULTIPLIERS', array([ 6715.09368943, -25477.16370253, -644.19333622, -1896.82266481,
-40810.62088758, -39268.41589937, -42705.60956124]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 2.77555756e-17,
-2.56704220e-17, -7.52627550e-05, 3.69235237e-04,
-2.93972482e-04]))
('penalty', 10000)
('old_driving_force', -41599.767951563335, 0.00036923523710202799)
('sublsum', -6.6351047019841181)
(1.0, -41609.968345091802, 4.6688241739811787e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.31616367 0.112107 0.57172933], NP=0.9191103856557672), CompositionSet(LAVES_C15, [ 0.61026371 0.3333336 0.05640269], NP=0.08088961434423275)])
('step', array([ 1.13531355e-03, -9.08783180e-04, -2.26530369e-04,
0.00000000e+00, -3.12695041e-02, 5.61989394e-07,
3.12689422e-02, 5.14752275e-08, -3.62147573e-07,
3.10672346e-07, -2.12396608e-03, 2.12396608e-03]))
('conv_angle', 88.467046946211084)
('Site fractions', array([ 3.16163673e-01, 1.12106996e-01, 5.71729331e-01,
1.00000000e+00, 9.15395532e-01, 6.02839413e-07,
8.46038650e-02, 5.94292629e-08, 9.99999603e-01,
3.37670482e-07]))
('Phase fractions', array([ 0.91911039, 0.08088961]))
('Chemical potentials', array([-40810.62088758, -39268.41589937, -42705.60956124]))
('Chem pot progress', array([ 270.61971025, 80.83784977, -179.56448984]))
('Energy progress', -4.9578018491956755)
('Driving force', 3.5761262270752923)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.31616367 0.112107 0.57172933], NP=0.9191103856557672), CompositionSet(LAVES_C15, [ 0.61026371 0.3333336 0.05640269], NP=0.08088961434423275)])
('reduced_hessian eigenvalues', array([ 2.04306375e+03, 3.42119807e+03, 2.75703800e+08,
4.31441734e+08, 2.30414505e+09]))
('NEW_L_MULTIPLIERS', array([ 6778.02150247, -25577.64682534, -613.41562898, -1783.88357312,
-40750.02543875, -39243.89381858, -42744.37594342]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -4.16333634e-17,
6.78446921e-18, -4.66882417e-05, 1.93076401e-06,
4.47574777e-05]))
('penalty', 10000)
('old_driving_force', -41609.9638282577, 4.6688241739811787e-05)
('sublsum', -0.55823236837881463)
(1.0, -41610.472511638465, 3.6389697654293229e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.31811149 0.11320736 0.56868115], NP=0.9236917979954757), CompositionSet(LAVES_C15, [ 0.60536593 0.33333666 0.06129741], NP=0.07630820200452429)])
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2.89585236e-03]))
('Phase fractions', array([ 0.90225236, 0.09774764]))
('Chemical potentials', array([-40927.08221789, -39378.73357518, -42621.46995726]))
('Chem pot progress', array([ 0.00109628, 0.00039251, -0.0006796 ]))
('Energy progress', 2.005996066145599e-06)
('Driving force', 2.9103830456733704e-10)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.31416535 0.10584187 0.57999278], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.31416535 0.10584186 0.57999279], NP=1.0), 4.3655745685100555e-11), (CompositionSet(BCC_A2, [ 0.31416535 0.10584187 0.57999278], NP=1.0), 2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.31416535 0.10584184 0.57999281], NP=1.0), 3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.31416535 0.10584186 0.57999279], NP=1.0), 4.3655745685100555e-11), (CompositionSet(BCC_A2, [ 0.31416535 0.10584186 0.57999279], NP=1.0), 3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.31416537 0.10584183 0.5799928 ], NP=1.0), 4.3655745685100555e-11), (CompositionSet(BCC_A2, [ 0.31416536 0.10584184 0.5799928 ], NP=1.0), 3.637978807091713e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57846483 0.35298988 0.06854529], NP=1.0), -3.4779077395796776e-09), (CompositionSet(LAVES_C15, [ 0.57846483 0.35298988 0.06854529], NP=1.0), -3.448803909122944e-09)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 1.00000000e-12 7.77777778e-01 2.22222222e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=0.7210203620232875), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.27897963797671277)])
('reduced_hessian eigenvalues', array([ -4.60135779e+02, 4.19795400e+14, 1.22377034e+15]))
('reduced_hessian modified eigenvalues', array([ 4.60264134e+02, 4.19795400e+14, 1.22377034e+15]))
('NEW_L_MULTIPLIERS', array([ 16375.5684999 , -45727.41234362, -4771.95315669, 23126.94657476,
-50334.6212811 , -37706.13013657, -46961.45853714]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, -1.99922887e-16,
0.00000000e+00, 6.88289181e-02, -1.36877498e-01,
6.80485801e-02]))
('penalty', 10000)
('old_driving_force', -35146.803769422258, 0.13687749822642226)
('sublsum', -2469.6775480745855)
(1.0, -33475.768413672537, 0.20000000000100004)
(0.5, -35360.856574054465, 0.14303506858724491)
('alpha', 0.5)
('Phases', [CompositionSet(BCC_A2, [ 1.00000000e-12 9.43035069e-01 6.46458372e-02], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -2.61759619e-01, 8.20516696e-01, -5.58757078e-01,
0.00000000e+00, -7.69432851e-11, 1.63512676e-10,
-8.65694426e-11, 0.00000000e+00, 9.73264320e-01,
-9.73264320e-01]))
('conv_angle', 88.832951130286347)
('Site fractions', array([ 1.00000000e-12, 9.43035069e-01, 6.46458372e-02,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-50334.6212811 , -37706.13013657, -46961.45853714]))
('Chem pot progress', array([-3008.17240459, -959.07339875, -3374.78039767]))
('Energy progress', 1124.590933699983)
('Driving force', 1528.8803251280187)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e-12 9.43035069e-01 6.46458372e-02], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-93182.61233713, 4997.19527864, 95347.65583503]))
('reduced_hessian modified eigenvalues', array([ 4997.19527864, 93182.61233713, 95347.65583503]))
('NEW_L_MULTIPLIERS', array([ 1.05337015e+04, -3.04218876e+04, 2.88663565e+03,
9.58643364e+02, 1.00624987e+14, -3.80327210e+04,
-4.10212836e+04]))
('L_CONSTRAINTS', array([ 7.68090582e-03, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -2.00000000e-02, 1.43035069e-01,
-1.15354163e-01]))
('penalty', 10000)
('old_driving_force', 2012499705213.9668, 0.14303506858724491)
('sublsum', -2012499744508.7498)
(1.0, -38381.179438684383, 0.0086141910151770421)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.80188429 0.17811571], NP=1.0), CompositionSet(HCP_A3, [ 8.61419101e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 0.02 , -0.14115078, 0.11346987, 0. , 0.00861419,
0.00813698, -0.01675117, 0. , 0.0291479 , -0.02937178]))
('conv_angle', 83.892130973318501)
('Site fractions', array([ 2.00000000e-02, 8.01884291e-01, 1.78115709e-01,
1.00000000e+00, 8.61419101e-03, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ 1.00624987e+14, -3.80327210e+04, -4.10212836e+04]))
('Chem pot progress', array([ 1.00624987e+14, -3.26590910e+02, 5.94017490e+03]))
('Energy progress', -1409.302314972956)
('Driving force', -2012499739562.0801)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.02 0.80188429 0.17811571], NP=1.0), CompositionSet(HCP_A3, [ 8.61419101e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -5.63225075e+13, 2.51562437e+03, 5.74470513e+13]))
('reduced_hessian modified eigenvalues', array([ 2.51561505e+03, 5.63225075e+13, 5.74470513e+13]))
('NEW_L_MULTIPLIERS', array([ -1.47110348e+11, -1.62760446e+11, 9.27852733e+10,
1.19890519e+09, -1.35444117e+11, 1.76901163e+11,
1.19120257e+11]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.61419102e-03,
0.00000000e+00, 2.18575158e-16, 1.88429052e-03,
-1.88429052e-03]))
('penalty', 10000)
('old_driving_force', -908184430.8901819, 0.0086141910151770421)
('sublsum', 908146065.54802823)
(1.0, -38739847.2039987, 0.00052893318080793339)
(0.5, -473462139.05423492, 0.0043070955075884916)
(0.25, -690823284.97401261, 0.0064606432613827109)
(0.125, -799503857.93252373, 0.0075374171382798765)
(0.0625, -853844144.41147339, 0.0080758040767285148)
(0.03125, -881014287.65084958, 0.0083449975459527221)
(0, -908184430.8901819, 0.0086141910151770421)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.80188429 0.17811571], NP=1.0), CompositionSet(HCP_A3, [ 8.61419101e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -3.19727981e-05, -1.35535734e-03, 1.38733014e-03,
0.00000000e+00, -3.29478488e-03, -6.96680797e-03,
1.64740183e-03, 0.00000000e+00, 2.79009854e-03,
-2.76626937e-03]))
('conv_angle', 104.40316466052246)
('Site fractions', array([ 2.00000000e-02, 8.01884291e-01, 1.78115709e-01,
1.00000000e+00, 8.61419101e-03, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ -1.35444117e+11, 1.76901163e+11, 1.19120257e+11]))
('Chem pot progress', array([ -1.00760431e+14, 1.76901201e+11, 1.19120298e+11]))
('Energy progress', 0.0)
('Driving force', -160362608532.43692)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.02 0.80188429 0.17811571], NP=1.0), CompositionSet(HCP_A3, [ 8.61419101e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -1.69615275e+11, 2.96223715e+03, 1.56087817e+11]))
('reduced_hessian modified eigenvalues', array([ 2.96223712e+03, 1.56087817e+11, 1.69615275e+11]))
('NEW_L_MULTIPLIERS', array([ -5.21330926e+08, -4.60237982e+08, 7.40134318e+07,
1.21499366e+08, 7.07473657e+08, 3.19429134e+08,
3.13026985e+08]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.61419102e-03,
0.00000000e+00, 2.18575158e-16, 1.88429052e-03,
-1.88429052e-03]))
('penalty', 1000.0)
('old_driving_force', -688091.45338292676, 0.0086141910151770421)
('sublsum', 649614.92377140711)
(1.0, -73452.630221793224, 0.00053474912074349392)
(0.5, -380772.05166148487, 0.0045744700679602127)
(0.25, -534431.75499383558, 0.0065943305415685719)
(0.125, -611261.60480709083, 0.0076042607783728625)
(0.0625, -649676.52924976207, 0.0081092258967748968)
(0.03125, -668883.99135511811, 0.0083617084559759695)
(0, -688091.45338292676, 0.0086141910151770421)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.80188429 0.17811571], NP=1.0), CompositionSet(HCP_A3, [ 8.61419101e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -1.59820724e-05, -1.61989551e-03, 1.63587758e-03,
0.00000000e+00, -2.98664570e-03, -5.09279620e-03,
-5.34749121e-04, 0.00000000e+00, 1.39467170e-03,
-1.38276034e-03]))
('conv_angle', 99.106282004377377)
('Site fractions', array([ 2.00000000e-02, 8.01884291e-01, 1.78115709e-01,
1.00000000e+00, 8.61419101e-03, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ 7.07473657e+08, 3.19429134e+08, 3.13026985e+08]))
('Chem pot progress', array([ 1.36151590e+11, -1.76581733e+11, -1.18807230e+11]))
('Energy progress', 0.0)
('Driving force', -326088175.67394686)
Removing CompositionSet(HCP_A3, [ 8.61419101e-03 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.02 0.80188429 0.17811571], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ -3410.8117304 , -27125.88989052, -43061.95425009, -24729.24175198,
-32192.08924138]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, -8.39606162e-15,
1.88429052e-03, -1.88429052e-03]))
('penalty', 100.0)
('old_driving_force', -38488.17312880441, 0.0018842905211172711)
('sublsum', -0.10504557361673646)
(1.0, -38488.602738630172, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0)])
('step', array([ 8.39578313e-15, -1.88429052e-03, 1.88429052e-03,
0.00000000e+00, 1.39936415e-17]))
('conv_angle', 89.867492032612731)
('Site fractions', array([ 0.02, 0.8 , 0.18, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-43061.95425009, -24729.24175198, -32192.08924138]))
('Chem pot progress', array([ -7.07516719e+08, -3.19453863e+08, -3.13059177e+08]))
('Energy progress', -14.114924506444368)
('Driving force', -12049.394188594728)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8638.48968761, -27125.91721789, -55111.21401452, -36778.57258301,
-44241.7799552 ]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -38488.602738630172, 5.5511151231257827e-17)
('sublsum', 5.6545549686242123e-28)
(1.0, -38488.602738630172, 5.5511151231257827e-17)
(0.5, -38488.602738630172, 5.5511151231257827e-17)
(0.25, -38488.602738630172, 5.5511151231257827e-17)
(0.125, -38488.602738630172, 5.5511151231257827e-17)
(0.0625, -38488.602738630172, 5.5511151231257827e-17)
(0.03125, -38488.602738630172, 5.5511151231257827e-17)
(0, -38488.602738630172, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0)])
('step', array([ -1.11022302e-18, -4.44089210e-17, -9.99200722e-18,
0.00000000e+00, 5.55111512e-17]))
('conv_angle', 165.5048103120468)
('Site fractions', array([ 0.02, 0.8 , 0.18, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-55111.21401452, -36778.57258301, -44241.7799552 ]))
('Chem pot progress', array([-12049.25976443, -12049.33083102, -12049.69071382]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8638.48968761, -27125.91721789, -55111.21401452, -36778.57258301,
-44241.7799552 ]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -38488.602738630172, 5.5511151231257827e-17)
('sublsum', 5.6545549686242123e-28)
(1.0, -38488.602738630172, 5.5511151231257827e-17)
(0.5, -38488.602738630172, 5.5511151231257827e-17)
(0.25, -38488.602738630172, 5.5511151231257827e-17)
(0.125, -38488.602738630172, 5.5511151231257827e-17)
(0.0625, -38488.602738630172, 5.5511151231257827e-17)
(0.03125, -38488.602738630172, 5.5511151231257827e-17)
(0, -38488.602738630172, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0)])
('step', array([ -1.11022302e-18, -4.44089210e-17, -9.99200722e-18,
0.00000000e+00, 5.55111512e-17]))
('conv_angle', 165.5048103120468)
('Site fractions', array([ 0.02, 0.8 , 0.18, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-55111.21401452, -36778.57258301, -44241.7799552 ]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.02 0.8 0.18], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 1.00000000e-12 7.77777778e-01 2.22222222e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=0.8105101810129681), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.18948981898703193)])
('reduced_hessian eigenvalues', array([ -4.32178588e+02, 3.04420819e+14, 9.04658602e+14]))
('reduced_hessian modified eigenvalues', array([ 4.32099233e+02, 3.04420819e+14, 9.04658602e+14]))
('NEW_L_MULTIPLIERS', array([ 18049.16268768, -50563.92050488, -6129.3787478 , 28907.71603864,
-50957.15584291, -37727.76938023, -46813.35924063]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, -1.99922887e-16,
0.00000000e+00, 8.98539657e-02, -1.78689225e-01,
8.88352593e-02]))
('penalty', 10000)
('old_driving_force', -34140.960537177387, 0.17868922494826267)
('sublsum', -2918.2565226303459)
(1.0, -33415.795416782617, 0.20000000000100004)
(0.5, -35258.433587404637, 0.14840409286287293)
('alpha', 0.5)
('Phases', [CompositionSet(BCC_A2, [ 1.00000000e-12 9.48404093e-01 6.43549658e-02], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -2.71915924e-01, 8.31254745e-01, -5.59338821e-01,
0.00000000e+00, -1.41737799e-10, 3.01021048e-10,
-1.59283101e-10, 0.00000000e+00, 1.05956024e+00,
-1.05956024e+00]))
('conv_angle', 88.451268008618243)
('Site fractions', array([ 1.00000000e-12, 9.48404093e-01, 6.43549658e-02,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-50957.15584291, -37727.76938023, -46813.35924063]))
('Chem pot progress', array([-3630.7069664 , -980.71264241, -3226.68110116]))
('Energy progress', 948.6358981513913)
('Driving force', 1590.1001984389513)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e-12 9.48404093e-01 6.43549658e-02], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-93330.43977437, 4994.30304227, 95505.82675049]))
('reduced_hessian modified eigenvalues', array([ 4994.30304227, 93330.43977437, 95505.82675049]))
('NEW_L_MULTIPLIERS', array([ 9.56786445e+03, -2.94722507e+04, 2.07411572e+03,
6.89228944e+02, 5.03124934e+13, -3.71289498e+04,
-3.88366882e+04]))
('L_CONSTRAINTS', array([ 1.27590586e-02, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -1.00000000e-02, 1.48404093e-01,
-1.25645034e-01]))
('penalty', 10000)
('old_driving_force', 503124899771.48572, 0.14840409286287293)
('sublsum', -503124937199.2262)
(1.0, -38303.354544723523, 0.0023199964362281777)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.80134232 0.18865768], NP=1.0), CompositionSet(HCP_A3, [ 2.31999644e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 0.01 , -0.14706177, 0.12430271, 0. , 0.00232 ,
0.00931977, -0.01163977, 0. , 0.02085809, -0.02112422]))
('conv_angle', 87.070562536623825)
('Site fractions', array([ 1.00000000e-02, 8.01342322e-01, 1.88657678e-01,
1.00000000e+00, 2.31999644e-03, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ 5.03124934e+13, -3.71289498e+04, -3.88366882e+04]))
('Chem pot progress', array([ 5.03124934e+13, 5.98819600e+02, 7.97667100e+03]))
('Energy progress', -1142.5404909117933)
('Driving force', -503124934815.54346)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.80134232 0.18865768], NP=1.0), CompositionSet(HCP_A3, [ 2.31999644e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -2.83031554e+13, 2.51562458e+03, 2.86768262e+13]))
('reduced_hessian modified eigenvalues', array([ 2.51562063e+03, 2.83031554e+13, 2.86768262e+13]))
('NEW_L_MULTIPLIERS', array([ -2.33399455e+10, -2.61108996e+10, 1.51663960e+10,
5.27790067e+07, -2.24620188e+10, 2.83770640e+10,
1.84999305e+10]))
('L_CONSTRAINTS', array([ 1.38777878e-16, 0.00000000e+00, 2.31999644e-03,
0.00000000e+00, 2.65412692e-16, 1.34232193e-03,
-1.34232193e-03]))
('penalty', 10000)
('old_driving_force', -48482573.904404387, 0.0023199964362281777)
('sublsum', 48444267.953689046)
(1.0, -2081547.6053339154, 0.00017797120371676467)
(0.5, -25282060.759529181, 0.0011599982181141658)
(0.25, -36882317.333133854, 0.0017399973271711162)
(0.125, -42682445.619061671, 0.0020299968816996469)
(0.0625, -45582509.761806808, 0.0021749966589638568)
(0.03125, -47032541.83312694, 0.0022474965475960174)
(0, -48482573.904404387, 0.0023199964362281777)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.80134232 0.18865768], NP=1.0), CompositionSet(HCP_A3, [ 2.31999644e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -6.96625193e-06, -1.16435073e-03, 1.17131698e-03,
0.00000000e+00, -1.07171061e-03, -1.78413892e-03,
5.35853091e-04, 0.00000000e+00, 9.06429850e-04,
-9.04331804e-04]))
('conv_angle', 104.24159156486955)
('Site fractions', array([ 1.00000000e-02, 8.01342322e-01, 1.88657678e-01,
1.00000000e+00, 2.31999644e-03, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ -2.24620188e+10, 2.83770640e+10, 1.84999305e+10]))
('Chem pot progress', array([ -5.03349554e+13, 2.83771011e+10, 1.84999693e+10]))
('Energy progress', 0.0)
('Driving force', -26005314460.549721)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.80134232 0.18865768], NP=1.0), CompositionSet(HCP_A3, [ 2.31999644e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -2.75501881e+10, 2.98248684e+03, 2.53718575e+10]))
('reduced_hessian modified eigenvalues', array([ 2.98248685e+03, 2.53718575e+10, 2.75501881e+10]))
('NEW_L_MULTIPLIERS', array([-30600897.53382708, -19407140.74575031, 2938205.69524612,
5113084.99601854, 38601010.40509097, 22261520.3869641 ,
21990284.58884042]))
('L_CONSTRAINTS', array([ 1.38777878e-16, 0.00000000e+00, 2.31999644e-03,
0.00000000e+00, 2.65412692e-16, 1.34232193e-03,
-1.34232193e-03]))
('penalty', 1000.0)
('old_driving_force', -45521.991201997604, 0.0023199964362281777)
('sublsum', 7171.0197905805453)
(1.0, -38727.142467226775, 0.00013578427543339258)
(0.5, -42124.572336678691, 0.0012278903558307296)
(0.25, -43823.283147615351, 0.0017739433960295647)
(0.125, -44672.637519722557, 0.0020469699161288712)
(0.0625, -45097.314447131961, 0.0021834831761784689)
(0.03125, -45309.652846141165, 0.0022517398062033233)
(0, -45521.991201997604, 0.0023199964362281777)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.80134232 0.18865768], NP=1.0), CompositionSet(HCP_A3, [ 2.31999644e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -2.78108084e-06, -1.27127191e-03, 1.27405300e-03,
0.00000000e+00, -6.32570003e-04, -1.55164216e-03,
-1.35784275e-04, 0.00000000e+00, 3.61866712e-04,
-3.61029127e-04]))
('conv_angle', 94.584551343644108)
('Site fractions', array([ 1.00000000e-02, 8.01342322e-01, 1.88657678e-01,
1.00000000e+00, 2.31999644e-03, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ 38601010.40509097, 22261520.3869641 , 21990284.58884042]))
('Chem pot progress', array([ 2.25006198e+10, -2.83548025e+10, -1.84779402e+10]))
('Energy progress', 0.0)
('Driving force', -22412090.854602288)
Removing CompositionSet(HCP_A3, [ 2.31999644e-03 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.80134232 0.18865768], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8310.8960267 , -27176.97892163, -59815.06234563, -36404.35462715,
-43578.27197043]))
('L_CONSTRAINTS', array([ 1.38777878e-16, 0.00000000e+00, -2.05391260e-15,
1.34232193e-03, -1.34232193e-03]))
('penalty', 100.0)
('old_driving_force', -38355.644560423803, 0.0013423219292774125)
('sublsum', -0.049027977594465928)
(1.0, -38355.937599619167, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.8 0.19], NP=1.0)])
('step', array([ 2.05279999e-15, -1.34232193e-03, 1.34232193e-03,
0.00000000e+00, 1.11285175e-16]))
('conv_angle', 87.071900290436204)
('Site fractions', array([ 0.01, 0.8 , 0.19, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-59815.06234563, -36404.35462715, -43578.27197043]))
('Chem pot progress', array([-38660825.4674366 , -22297924.74159125, -22033862.86081084]))
('Energy progress', -9.654281378236192)
('Driving force', -354.43160005864775)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.8 0.19], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8665.27803355, -27176.99193343, -60169.44347714, -36758.75953297,
-43932.81862354]))
('L_CONSTRAINTS', array([ -8.32667268e-17, 0.00000000e+00, -1.73472348e-18,
-1.11022302e-16, -2.77555756e-17]))
('penalty', 10000)
('old_driving_force', -38355.937599619167, 1.1102230246251565e-16)
('sublsum', 2.3728936029048036e-28)
(1.0, -38355.937599619159, 5.5511151231257827e-17)
(0.5, -38355.937599619167, 1.1102230246251565e-16)
(0.25, -38355.937599619167, 1.1102230246251565e-16)
(0.125, -38355.937599619167, 1.1102230246251565e-16)
(0.0625, -38355.937599619167, 1.1102230246251565e-16)
(0.03125, -38355.937599619167, 1.1102230246251565e-16)
(0, -38355.937599619167, 1.1102230246251565e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.8 0.19], NP=1.0)])
('step', array([ 1.16226473e-18, 6.52256027e-17, 1.68788594e-17,
0.00000000e+00, 5.72458747e-17]))
('conv_angle', 109.26320549171761)
('Site fractions', array([ 0.01, 0.8 , 0.19, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-60169.44347714, -36758.75953297, -43932.81862354]))
('Chem pot progress', array([-354.38113151, -354.40490582, -354.54665311]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.8 0.19], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8665.27803355, -27176.99193343, -60169.44347714, -36758.75953297,
-43932.81862354]))
('L_CONSTRAINTS', array([ -8.32667268e-17, 0.00000000e+00, -1.73472348e-18,
-1.11022302e-16, -2.77555756e-17]))
('penalty', 1000.0)
('old_driving_force', -38355.937599619167, 1.1102230246251565e-16)
('sublsum', 2.3728936029048036e-28)
(1.0, -38355.937599619159, 5.5511151231257827e-17)
(0.5, -38355.937599619167, 1.1102230246251565e-16)
(0.25, -38355.937599619167, 1.1102230246251565e-16)
(0.125, -38355.937599619167, 1.1102230246251565e-16)
(0.0625, -38355.937599619167, 1.1102230246251565e-16)
(0.03125, -38355.937599619167, 1.1102230246251565e-16)
(0, -38355.937599619167, 1.1102230246251565e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.8 0.19], NP=1.0)])
('step', array([ 1.16226473e-18, 6.52256027e-17, 1.68788594e-17,
0.00000000e+00, 5.72458747e-17]))
('conv_angle', 109.26320549171761)
('Site fractions', array([ 0.01, 0.8 , 0.19, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-60169.44347714, -36758.75953297, -43932.81862354]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.00999994 0.80000004 0.19000002], NP=1.0), -1.1132215149700642e-09), (CompositionSet(BCC_A2, [ 0.00999995 0.80000006 0.19 ], NP=1.0), -1.076841726899147e-09), (CompositionSet(BCC_A2, [ 0.00999995 0.80000004 0.19000001], NP=1.0), -1.0040821507573128e-09), (CompositionSet(BCC_A2, [ 0.00999995 0.80000005 0.19000001], NP=1.0), -9.822542779147625e-10), (CompositionSet(BCC_A2, [ 0.00999995 0.80000007 0.18999999], NP=1.0), -9.968061931431293e-10), (CompositionSet(BCC_A2, [ 0.00999995 0.80000006 0.18999999], NP=1.0), -1.0113581083714962e-09)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 1.00000000e-12 7.77777778e-01 2.22222222e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=0.7655101810128333), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.23448981898716698)])
('reduced_hessian eigenvalues', array([ -4.46057074e+02, 3.66271130e+14, 1.08009782e+15]))
('reduced_hessian modified eigenvalues', array([ 4.46053281e+02, 3.66271130e+14, 1.08009782e+15]))
('NEW_L_MULTIPLIERS', array([ 16974.71933964, -47460.83541271, -5264.17693061, 25149.26534656,
-50953.817568 , -37699.51637238, -46859.40649426]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, -1.99922887e-16,
0.00000000e+00, 8.43100150e-02, -1.67664177e-01,
8.33541624e-02]))
('penalty', 10000)
('old_driving_force', -34311.773285853269, 0.16766417736485617)
('sublsum', -2740.4839299737223)
(1.0, -33538.562712574021, 0.19000000000100004)
(0.5, -35441.82872035099, 0.13456216603965543)
('alpha', 0.5)
('Phases', [CompositionSet(BCC_A2, [ 1.00000000e-12 9.44562166e-01 6.70113623e-02], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -2.69544864e-01, 8.23570891e-01, -5.54026027e-01,
0.00000000e+00, -9.96849929e-11, 2.11676170e-10,
-1.11991111e-10, 0.00000000e+00, 9.90506563e-01,
-9.90506563e-01]))
('conv_angle', 88.57857309468109)
('Site fractions', array([ 1.00000000e-12, 9.44562166e-01, 6.70113623e-02,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-50953.817568 , -37699.51637238, -46859.40649426]))
('Chem pot progress', array([-3627.3686915 , -952.45963456, -3272.72835479]))
('Energy progress', 878.55796304876276)
('Driving force', 1544.2249603018936)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e-12 9.44562166e-01 6.70113623e-02], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-93229.81665088, 4994.46339536, 95402.02903589]))
('reduced_hessian modified eigenvalues', array([ 4994.46339536, 93229.81665088, 95402.02903589]))
('NEW_L_MULTIPLIERS', array([ 9.49007552e+03, -2.93852612e+04, 1.94050103e+03,
6.45495619e+02, 5.03124934e+13, -3.70990317e+04,
-4.02419362e+04]))
('L_CONSTRAINTS', array([ 1.15735283e-02, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -1.00000000e-02, 1.34562166e-01,
-1.12988638e-01]))
('penalty', 10000)
('old_driving_force', 503124899323.87305, 0.13456216603965543)
('sublsum', -503124936869.20068)
(1.0, -38230.750242428388, 0.0025074218837002559)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.81131001 0.17868999], NP=1.0), CompositionSet(HCP_A3, [ 2.50742188e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 0.01 , -0.13325216, 0.11167863, 0. , 0.00250742,
0.00872456, -0.01123198, 0. , 0.01954902, -0.01977528]))
('conv_angle', 86.760244379142151)
('Site fractions', array([ 1.00000000e-02, 8.11310007e-01, 1.78689993e-01,
1.00000000e+00, 2.50742188e-03, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ 5.03124934e+13, -3.70990317e+04, -4.02419362e+04]))
('Chem pot progress', array([ 5.03124934e+13, 6.00484633e+02, 6.61747028e+03]))
('Energy progress', -1067.6059088807233)
('Driving force', -503124934536.35065)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.81131001 0.17868999], NP=1.0), CompositionSet(HCP_A3, [ 2.50742188e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -2.83563028e+13, 2.51562298e+03, 2.87223054e+13]))
('reduced_hessian modified eigenvalues', array([ 2.51562441e+03, 2.83563028e+13, 2.87223054e+13]))
('NEW_L_MULTIPLIERS', array([ -2.43938201e+10, -2.72223366e+10, 1.57798998e+10,
5.93503298e+07, -2.32652083e+10, 2.93739201e+10,
1.96142337e+10]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 2.50742188e-03,
0.00000000e+00, 2.23779328e-16, 1.31000680e-03,
-1.31000679e-03]))
('penalty', 10000)
('old_driving_force', -52390343.212212533, 0.0025074218837002559)
('sublsum', 52352111.651364855)
(1.0, -2055646.8520689455, 0.00017562684675842544)
(0.5, -27222995.036858939, 0.0012537109418501247)
(0.25, -39806669.125720233, 0.0018805664127752458)
(0.125, -46098506.16926159, 0.0021939941482376954)
(0.0625, -49244424.690810792, 0.0023507080159689757)
(0.03125, -50817383.951529838, 0.0024290649498345603)
(0, -52390343.212212533, 0.0025074218837002559)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.81131001 0.17868999], NP=1.0), CompositionSet(HCP_A3, [ 2.50742188e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -7.07345980e-06, -1.13437995e-03, 1.14145341e-03,
0.00000000e+00, -1.11297300e-03, -1.95093346e-03,
5.56484573e-04, 0.00000000e+00, 9.43272664e-04,
-9.40913398e-04]))
('conv_angle', 104.24038366465409)
('Site fractions', array([ 1.00000000e-02, 8.11310007e-01, 1.78689993e-01,
1.00000000e+00, 2.50742188e-03, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ -2.32652083e+10, 2.93739201e+10, 1.96142337e+10]))
('Chem pot progress', array([ -5.03357586e+13, 2.93739572e+10, 1.96142739e+10]))
('Energy progress', 0.0)
('Driving force', -27103608752.580322)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.81131001 0.17868999], NP=1.0), CompositionSet(HCP_A3, [ 2.50742188e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -2.85683702e+10, 2.96314692e+03, 2.64936417e+10]))
('reduced_hessian modified eigenvalues', array([ 2.96314692e+03, 2.64936417e+10, 2.85683702e+10]))
('NEW_L_MULTIPLIERS', array([-32487100.30196182, -21915785.97420073, 3362769.6405804 ,
5748613.49948602, 41498547.96860769, 23001368.09596721,
22732724.63338015]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 2.50742188e-03,
0.00000000e+00, 2.23779328e-16, 1.31000680e-03,
-1.31000679e-03]))
('penalty', 1000.0)
('old_driving_force', -47051.709992734694, 0.0025074218837002559)
('sublsum', 8773.997519199067)
(1.0, -38755.919349105468, 0.0001515576662814099)
(0.5, -42903.820229903533, 0.0013294897749908329)
(0.25, -44977.766503956846, 0.0019184558293454889)
(0.125, -46014.738596866089, 0.0022129388565229834)
(0.0625, -46533.224381978063, 0.0023601803701115641)
(0.03125, -46792.467209157367, 0.0024338011269059655)
(0, -47051.709992734694, 0.0025074218837002559)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.81131001 0.17868999], NP=1.0), CompositionSet(HCP_A3, [ 2.50742188e-03 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -2.94832435e-06, -1.23680289e-03, 1.23975121e-03,
0.00000000e+00, -7.18616394e-04, -1.63724782e-03,
-1.51557666e-04, 0.00000000e+00, 3.93170223e-04,
-3.92186846e-04]))
('conv_angle', 95.225247749144003)
('Site fractions', array([ 1.00000000e-02, 8.11310007e-01, 1.78689993e-01,
1.00000000e+00, 2.50742188e-03, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ 41498547.96860769, 23001368.09596721, 22732724.63338015]))
('Chem pot progress', array([ 2.33067068e+10, -2.93509187e+10, -1.95915010e+10]))
('Energy progress', 0.0)
('Driving force', -23176609.026669517)
Removing CompositionSet(HCP_A3, [ 2.50742188e-03 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.81131001 0.17868999], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8278.29720907, -27210.61155408, -59766.66473416, -36365.19565298,
-43817.81313932]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -2.28289609e-15,
1.31000679e-03, -1.31000679e-03]))
('penalty', 100.0)
('old_driving_force', -38282.531435478129, 0.001310006794096652)
('sublsum', -0.0498360894325003)
(1.0, -38282.818423104145, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.81 0.18], NP=1.0)])
('step', array([ 2.28283154e-15, -1.31000679e-03, 1.31000679e-03,
0.00000000e+00, 6.60072734e-18]))
('conv_angle', 86.843253413179312)
('Site fractions', array([ 0.01, 0.81, 0.18, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-59766.66473416, -36365.19565298, -43817.81313932]))
('Chem pot progress', array([-41558314.63334186, -23037733.29162019, -22776542.44651947]))
('Energy progress', -9.787965808143781)
('Driving force', -342.13693177267123)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.81 0.18], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8620.38493579, -27210.61724833, -60108.72997779, -36707.30429842,
-44160.08134228]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -38282.818423104145, 5.5511151231257827e-17)
('sublsum', 5.6747498077978706e-28)
(1.0, -38282.818423104145, 5.5511151231257827e-17)
(0.5, -38282.818423104145, 5.5511151231257827e-17)
(0.25, -38282.818423104145, 5.5511151231257827e-17)
(0.125, -38282.818423104145, 5.5511151231257827e-17)
(0.0625, -38282.818423104145, 5.5511151231257827e-17)
(0.03125, -38282.818423104145, 5.5511151231257827e-17)
(0, -38282.818423104145, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.81 0.18], NP=1.0)])
('step', array([ -5.55111512e-19, -4.49640325e-17, -9.99200722e-18,
0.00000000e+00, 5.55111512e-17]))
('conv_angle', 165.25542283886443)
('Site fractions', array([ 0.01, 0.81, 0.18, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-60108.72997779, -36707.30429842, -44160.08134228]))
('Chem pot progress', array([-342.06524363, -342.10864544, -342.26820296]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.81 0.18], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8620.38493579, -27210.61724833, -60108.72997779, -36707.30429842,
-44160.08134228]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -38282.818423104145, 5.5511151231257827e-17)
('sublsum', 5.6747498077978706e-28)
(1.0, -38282.818423104145, 5.5511151231257827e-17)
(0.5, -38282.818423104145, 5.5511151231257827e-17)
(0.25, -38282.818423104145, 5.5511151231257827e-17)
(0.125, -38282.818423104145, 5.5511151231257827e-17)
(0.0625, -38282.818423104145, 5.5511151231257827e-17)
(0.03125, -38282.818423104145, 5.5511151231257827e-17)
(0, -38282.818423104145, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.81 0.18], NP=1.0)])
('step', array([ -5.55111512e-19, -4.49640325e-17, -9.99200722e-18,
0.00000000e+00, 5.55111512e-17]))
('conv_angle', 165.25542283886443)
('Site fractions', array([ 0.01, 0.81, 0.18, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-60108.72997779, -36707.30429842, -44160.08134228]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.00999994 0.81000007 0.17999999], NP=1.0), -1.1568772606551647e-09), (CompositionSet(BCC_A2, [ 0.00999995 0.81000005 0.18 ], NP=1.0), -1.0695657692849636e-09), (CompositionSet(BCC_A2, [ 0.00999995 0.81000006 0.17999999], NP=1.0), -1.025910023599863e-09), (CompositionSet(BCC_A2, [ 0.00999995 0.81000006 0.17999999], NP=1.0), -9.89530235528946e-10), (CompositionSet(BCC_A2, [ 0.00999995 0.81000005 0.18 ], NP=1.0), -1.0186340659856796e-09), (CompositionSet(BCC_A2, [ 0.00999995 0.81000006 0.17999999], NP=1.0), -1.0331859812140465e-09)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': [(CompositionSet(HCP_A3, [ 1.65606491e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 39.752441372220346), (CompositionSet(HCP_A3, [ 2.88233977e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 39.75244283564098), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 39.75243938852509), (CompositionSet(HCP_A3, [ 1.34179147e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 39.75244098796975), (CompositionSet(HCP_A3, [ 2.16984528e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 39.75244199136796), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 2.89181414e-11], NP=1.0), 39.75244372682937), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 39.75243938852509), (CompositionSet(HCP_A3, [ 2.67186313e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 39.75244258772727), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 39.75243938852509)]})
Adding CompositionSet(BCC_A2, [ 0.01 0.81 0.18], NP=1.0)
Adding CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 2.89181414e-11], NP=1e-12)
Adding CompositionSet(BCC_A2, [ 0.00999995 0.81000005 0.18 ], NP=1e-12)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.81 0.18], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 2.89181414e-11], NP=1e-12), CompositionSet(BCC_A2, [ 0.00999995 0.81000005 0.18 ], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -9.42891478e+04, -1.23729547e+02, 3.85237786e-07,
1.23729690e+02, 2.75723689e+03, 9.57169530e+04]))
('reduced_hessian modified eigenvalues', array([ 3.85251981e-07, 1.23729547e+02, 1.23729690e+02,
2.75723689e+03, 9.42891478e+04, 9.57169530e+04]))
('NEW_L_MULTIPLIERS', array([ 8.62905728e+03, -2.71940963e+04, -2.39253113e+01,
-8.89014540e+00, -1.14947533e+00, 3.64431494e+00,
-6.01164486e+04, -3.67219986e+04, -4.41639789e+04]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, -1.70762789e-16,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
1.00006808e-14, 1.80999660e-12, 1.79994908e-13]))
('penalty', 100.0)
('old_driving_force', -38282.818423103963, 1.8099965970463927e-12)
('sublsum', -0.010671157033869552)
(1.0, -38282.801293574135, 0.0001084880815880318)
(0.5, -38282.809846449687, 5.4242825225703228e-05)
(0.25, -38282.814122387215, 2.7121109399508292e-05)
(0.125, -38282.816267294736, 1.3560479575125406e-05)
(0.0625, -38282.81734324924, 6.7802216853207753e-06)
(0.03125, -38282.817882543175, 3.3901069957931185e-06)
(0, -38282.818423103963, 1.8099965970463927e-12)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.01 0.81 0.18], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 2.89181414e-11], NP=1e-12), CompositionSet(BCC_A2, [ 0.00999995 0.81000005 0.18 ], NP=1e-12)])
('step', array([ 2.68439556e-06, -5.10036460e-05, 4.83192504e-05,
0.00000000e+00, 1.11586619e-04, -7.43043168e-06,
-1.04156187e-04, 0.00000000e+00, -1.74675008e-05,
1.61401952e-05, 1.32730555e-06, 0.00000000e+00,
-1.34510392e-04, 2.68440277e-04, -1.33929887e-04]))
('conv_angle', 57.228492708272292)
('Site fractions', array([ 1.00000000e-02, 8.10000000e-01, 1.80000000e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
2.89181414e-11, 1.00000000e+00, 9.99994606e-03,
8.10000051e-01, 1.80000003e-01, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12, 1.00000000e-12]))
('Chemical potentials', array([-60116.44857768, -36721.99855202, -44163.97892499]))
('Chem pot progress', array([ 19.82315591, 25.05819013, -184.31367706]))
('Energy progress', 0.0)
('Driving force', 12.681096306390828)
Removing CompositionSet(BCC_A2, [ 0.00999995 0.81000005 0.18 ], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01 0.81 0.18], NP=1.000000000001), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 2.89181414e-11], NP=1e-12)])
('reduced_hessian eigenvalues', array([-82039.27647117, 2753.99634636, 83292.68410462]))
('reduced_hessian modified eigenvalues', array([ 2753.99634636, 82039.27647117, 83292.68410462]))
('NEW_L_MULTIPLIERS', array([ 8.63547202e+03, -2.71848374e+04, -2.08360939e+01,
-7.75762535e+00, -6.01240195e+04, -3.67281050e+04,
-4.41725490e+04]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, -1.70762789e-16,
0.00000000e+00, 1.00006808e-14, 1.80999660e-12,
1.80022663e-13]))
('penalty', 10.0)
('old_driving_force', -38282.818423104123, 1.8099965970463927e-12)
('sublsum', -0.0093082315519792333)
(1.0, -38282.824697295444, 0.00010418112284640282)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.01000234 0.80995551 0.18004215], NP=0.9997658450480339), CompositionSet(HCP_A3, [ 1.11464785e-04 9.99992716e-01 1.00000000e-12], NP=0.00023415495196623428)])
('step', array([ 2.34154952e-06, -4.44894409e-05, 4.21478913e-05,
0.00000000e+00, 1.11464784e-04, -7.28363362e-06,
-1.04181151e-04, 0.00000000e+00, -2.34154953e-04,
2.34154951e-04]))
('conv_angle', 57.329959709939374)
('Site fractions', array([ 1.00023415e-02, 8.09955511e-01, 1.80042148e-01,
1.00000000e+00, 1.11464785e-04, 9.99992716e-01,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 9.99765845e-01, 2.34154952e-04]))
('Chemical potentials', array([-60124.01945149, -36728.10502592, -44172.54895293]))
('Chem pot progress', array([-7.57087381, -6.1064739 , -8.57002794]))
('Energy progress', -0.010907397365372162)
('Driving force', 19.236166760842025)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01000234 0.80995551 0.18004215], NP=0.9997658450480339), CompositionSet(HCP_A3, [ 1.11464785e-04 9.99992716e-01 1.00000000e-12], NP=0.00023415495196623428)])
('reduced_hessian eigenvalues', array([ -1.05108827e+03, 9.15520633e+03, 7.85394595e+11]))
('reduced_hessian modified eigenvalues', array([ 1.05108827e+03, 9.15520633e+03, 7.85394595e+11]))
('NEW_L_MULTIPLIERS', array([ 8519.27035621, -26705.82271012, 107.42148366, -558.47876544,
-60038.25954801, -36760.95473296, -44113.68953829]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 1.04181123e-04,
0.00000000e+00, 2.55517457e-08, 8.71192418e-09,
-9.86914397e-09]))
('penalty', 10000)
('old_driving_force', -38281.796850334082, 0.00010418112284640282)
('sublsum', -0.67160117693412436)
(1.0, -38279.732757938895, 0.00010173323513649156)
(0.5, -38281.821345294476, 5.2090561423175532e-05)
('alpha', 0.5)
('Phases', [CompositionSet(BCC_A2, [ 0.01008384 0.80837683 0.18153933], NP=0.9914520778939239), CompositionSet(HCP_A3, [ 3.25247318e-03 9.96799616e-01 1.23586173e-09], NP=0.008547056058704806)])
('step', array([ 1.63002737e-04, -3.15737074e-03, 2.99436801e-03,
0.00000000e+00, 6.28201679e-03, -6.38620039e-03,
2.46972346e-09, 0.00000000e+00, -1.66275343e-02,
1.66258022e-02]))
('conv_angle', 88.039678347986353)
('Site fractions', array([ 1.00838429e-02, 8.08376825e-01, 1.81539332e-01,
1.00000000e+00, 3.25247318e-03, 9.96799616e-01,
1.23586173e-09, 1.00000000e+00]))
('Phase fractions', array([ 0.99145208, 0.00854706]))
('Chemical potentials', array([-60038.25954801, -36760.95473296, -44113.68953829]))
('Chem pot progress', array([ 85.75990349, -32.84970705, 58.85941464]))
('Energy progress', -0.5057434760601609)
('Driving force', 34.370260853400396)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01008384 0.80837683 0.18153933], NP=0.9914520778939239), CompositionSet(HCP_A3, [ 3.25247318e-03 9.96799616e-01 1.23586173e-09], NP=0.008547056058704806)])
('reduced_hessian eigenvalues', array([ -4.43094236e+03, 1.43183444e+04, 3.34637366e+10]))
('reduced_hessian modified eigenvalues', array([ 4.43094236e+03, 1.43183444e+04, 3.34637366e+10]))
('NEW_L_MULTIPLIERS', array([ 8570.10281421, -26774.48751592, 135.14701929, -445.06954192,
-60062.15780184, -36787.96905402, -44147.00936034]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 5.20905614e-05,
0.00000000e+00, 2.54460847e-05, -1.34147476e-05,
-1.24521635e-05]))
('penalty', 10000)
('old_driving_force', -38281.822958710378, 5.2090561423175532e-05)
('sublsum', -1.1461402317603258)
(1.0, -38282.77036177658, 2.439495029537761e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.01016063 0.80739755 0.18244182], NP=0.9865918496013887), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 3.45221769e-08], NP=0.013407897194667694)])
('step', array([ 7.67872904e-05, -9.79276165e-04, 9.02488875e-04,
0.00000000e+00, -8.00006220e-03, 7.94793835e-03,
3.32863151e-08, 0.00000000e+00, -4.86022829e-03,
4.86084114e-03]))
('conv_angle', 85.673067529473187)
('Site fractions', array([ 1.01606302e-02, 8.07397549e-01, 1.82441821e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
3.45221769e-08, 1.00000000e+00]))
('Phase fractions', array([ 0.98659185, 0.0134079 ]))
('Chemical potentials', array([-60062.15780184, -36787.96905402, -44147.00936034]))
('Chem pot progress', array([-23.89825383, -27.01432105, -33.31982204]))
('Energy progress', -0.45225177166139474)
('Driving force', 62.077067874735803)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01016063 0.80739755 0.18244182], NP=0.9865918496013887), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 3.45221769e-08], NP=0.013407897194667694)])
('reduced_hessian eigenvalues', array([ 4.98566779e+02, 1.40929148e+09, 4.49644821e+13]))
('NEW_L_MULTIPLIERS', array([ 8317.29325736, -26130.26675296, 282.42854614, -1283.34221652,
-59869.51664067, -36747.1916319 , -43997.00434478]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 0.00000000e+00, 3.45231768e-08,
0.00000000e+00, 2.43949503e-05, -2.02615512e-05,
-4.38614016e-06]))
('penalty', 10000)
('old_driving_force', -38282.773582175905, 2.439495029537761e-05)
('sublsum', -0.65767967231521129)
(1.0, -38281.092551352565, 0.00012498597872279138)
(0.5, -38282.871590799536, 3.1940899316490468e-05)
('alpha', 0.5)
('Phases', [CompositionSet(BCC_A2, [ 0.01027885 0.80493247 0.18478869], NP=0.9739126601482594), CompositionSet(HCP_A3, [ 4.18271957e-11 9.99999311e-01 7.06378951e-07], NP=0.02608721281203854)])
('step', array([ 2.36432279e-04, -4.93016259e-03, 4.69373031e-03,
0.00000000e+00, 8.16543914e-11, -1.37831838e-06,
1.34371355e-06, 0.00000000e+00, -2.53583789e-02,
2.53586312e-02]))
('conv_angle', 89.633023615748741)
('Site fractions', array([ 1.02788463e-02, 8.04932468e-01, 1.84788686e-01,
1.00000000e+00, 4.18271957e-11, 9.99999311e-01,
7.06378951e-07, 1.00000000e+00]))
('Phase fractions', array([ 0.97391266, 0.02608721]))
('Chemical potentials', array([-59869.51664067, -36747.1916319 , -43997.00434478]))
('Chem pot progress', array([ 192.64116117, 40.77742212, 150.00501556]))
('Energy progress', 0.26685623986122664)
('Driving force', -0.1281403283282998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01027885 0.80493247 0.18478869], NP=0.9739126601482594), CompositionSet(HCP_A3, [ 4.18271957e-11 9.99999311e-01 7.06378951e-07], NP=0.02608721281203854)])
('reduced_hessian eigenvalues', array([ 5.09688393e+02, 1.33937386e+08, 3.01651705e+12]))
('NEW_L_MULTIPLIERS', array([ 8317.42708137, -26124.18611768, 282.59805252, -1289.24743831,
-59866.29670325, -36747.95168677, -43995.55391262]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 1.72615884e-08,
0.00000000e+00, 1.06985908e-05, 2.11157191e-05,
-3.19408993e-05]))
('penalty', 10000)
('old_driving_force', -38282.871562874039, 3.1940899316490468e-05)
('sublsum', -0.19158212070724828)
(1.0, -38282.953385664456, 3.3166239262638619e-05)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.0104034 0.8023388 0.1872578], NP=0.9610706327666027), CompositionSet(HCP_A3, [ 1.03132563e-09 9.99988273e-01 1.17256622e-05], NP=0.03892936701172145)])
('step', array([ 1.24551835e-04, -2.59367030e-03, 2.46911846e-03,
0.00000000e+00, 9.89498435e-10, -1.10375343e-05,
1.10192832e-05, 0.00000000e+00, -1.28420274e-02,
1.28421542e-02]))
('conv_angle', 89.842711113360423)
('Site fractions', array([ 1.04033982e-02, 8.02338797e-01, 1.87257804e-01,
1.00000000e+00, 1.03132563e-09, 9.99988273e-01,
1.17256622e-05, 1.00000000e+00]))
('Phase fractions', array([ 0.96107063, 0.03892937]))
('Chemical potentials', array([-59866.29670325, -36747.95168677, -43995.55391262]))
('Chem pot progress', array([ 3.21993742, -0.76005487, 1.45043216]))
('Energy progress', 0.16952740109263686)
('Driving force', 0.086824922698724549)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.0104034 0.8023388 0.1872578], NP=0.9610706327666027), CompositionSet(HCP_A3, [ 1.03132563e-09 9.99988273e-01 1.17256622e-05], NP=0.03892936701172145)])
('reduced_hessian eigenvalues', array([ 4.56852815e+02, 1.20292933e+07, 1.82363707e+11]))
('NEW_L_MULTIPLIERS', array([ 8275.88744338, -25976.86334983, 321.22355583, -1464.2418584 ,
-59832.83292017, -36753.44584589, -43973.43298892]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -1.16941369e-16,
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('Energy progress', -0.004034332865558099)
('Driving force', 0.0015958412259351462)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01291752 0.76136702 0.22571546], NP=0.7661123143203655), CompositionSet(HCP_A3, [ 4.43478262e-04 9.69300083e-01 3.02564392e-02], NP=0.23388768567963455)])
('reduced_hessian eigenvalues', array([ 5.58750517e+02, 2.42931536e+04, 2.36516757e+06]))
('NEW_L_MULTIPLIERS', array([ 6749.0638214 , -20723.30436906, 1790.85097308, -7605.7329054 ,
-58503.1772213 , -36960.84244671, -43262.78759241]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, -3.46944695e-17,
0.00000000e+00, -2.72306415e-09, 4.18945201e-09,
-1.46638793e-09]))
('penalty', 10000)
('old_driving_force', -38310.615833213451, 4.1894520075302921e-09)
('sublsum', -3.7089820714609577e-06)
(1.0, -38310.615918673124, 9.2608143376082808e-12)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.01291716 0.76136839 0.22571445], NP=0.766116257924363), CompositionSet(HCP_A3, [ 4.44453998e-04 9.69299099e-01 3.02564467e-02], NP=0.2338837420756371)])
('step', array([ -3.58540599e-07, 1.36505072e-06, -1.00651012e-06,
0.00000000e+00, 9.75736452e-07, -9.83232487e-07,
7.49603573e-09, 0.00000000e+00, 3.94360400e-06,
-3.94360400e-06]))
('conv_angle', 80.402266899526012)
('Site fractions', array([ 1.29171641e-02, 7.61368387e-01, 2.25714449e-01,
1.00000000e+00, 4.44453998e-04, 9.69299099e-01,
3.02564467e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.76611626, 0.23388374]))
('Chemical potentials', array([-58503.1772213 , -36960.84244671, -43262.78759241]))
('Chem pot progress', array([-0.19753173, 0.00767741, -0.01472903]))
('Energy progress', -6.961955659789965e-05)
('Driving force', 1.8262944649904966e-06)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.01291716 0.76136839 0.22571445], NP=0.766116257924363), CompositionSet(HCP_A3, [ 4.44453998e-04 9.69299099e-01 3.02564467e-02], NP=0.2338837420756371)])
('reduced_hessian eigenvalues', array([ 5.58416976e+02, 2.42913815e+04, 2.36001230e+06]))
('NEW_L_MULTIPLIERS', array([ 6749.06387064, -20723.30457494, 1790.85092228, -7605.73267463,
-58503.17745746, -36960.84243787, -43262.78760894]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 1.04083409e-17,
0.00000000e+00, -5.26186039e-12, 9.26081434e-12,
-3.99885680e-12]))
('penalty', 10000)
('old_driving_force', -38310.615918673124, 9.2608143376082808e-12)
('sublsum', -4.5648769123918224e-12)
(1.0, -38310.615918858392, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.01291716 0.76136839 0.22571445], NP=0.7661162647580487), CompositionSet(HCP_A3, [ 4.44455077e-04 9.69299098e-01 3.02564467e-02], NP=0.23388373524195125)])
('step', array([ -4.33614735e-10, 2.17193976e-09, -1.73832499e-09,
0.00000000e+00, 1.07842715e-09, -1.07868084e-09,
2.53682470e-13, 0.00000000e+00, 6.83368576e-09,
-6.83368587e-09]))
('conv_angle', 83.683094104511682)
('Site fractions', array([ 1.29171637e-02, 7.61368389e-01, 2.25714447e-01,
1.00000000e+00, 4.44455077e-04, 9.69299098e-01,
3.02564467e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.76611626, 0.23388374]))
('Chemical potentials', array([-58503.17745746, -36960.84243787, -43262.78760894]))
('Chem pot progress', array([ -2.36164502e-04, 8.84319161e-06, -1.65281162e-05]))
('Energy progress', -1.385924406349659e-07)
('Driving force', -2.9103830456733704e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.01291716 0.76136839 0.22571445], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.01291716 0.76136839 0.22571445], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.01291716 0.76136839 0.22571445], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.01291716 0.76136839 0.22571445], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.01291716 0.76136839 0.22571445], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.01291716 0.76136839 0.22571445], NP=1.0), 2.1827872842550278e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 1.00000000e-12 7.77777778e-01 2.22222222e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=0.8549999999494741), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.14500000005052607)])
('reduced_hessian eigenvalues', array([ -4.18445651e+02, 2.37577365e+14, 7.09404338e+14]))
('reduced_hessian modified eigenvalues', array([ 4.18510011e+02, 2.37577365e+14, 7.09404338e+14]))
('NEW_L_MULTIPLIERS', array([ 18701.98603576, -52432.2584327 , -6659.41363178, 31098.46541237,
-51494.7489735 , -37720.3806121 , -46753.91873528]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, -1.99922887e-16,
0.00000000e+00, 1.05335063e-01, -2.09475904e-01,
1.04140841e-01]))
('penalty', 10000)
('old_driving_force', -33292.047369012471, 0.20947590406191519)
('sublsum', -3211.2667593496899)
(1.0, -33473.611722063273, 0.19000000000100004)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -2.79091710e-01, 8.36213692e-01, -5.57121981e-01,
0.00000000e+00, -1.99347233e-10, 4.23298396e-10,
-2.23951189e-10, 0.00000000e+00, 1.08189558e+00,
-1.08189558e+00]))
('conv_angle', 88.198850786837937)
('Site fractions', array([ 1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-51494.7489735 , -37720.3806121 , -46753.91873528]))
('Chem pot progress', array([-4168.30009699, -973.32387428, -3167.24059581]))
('Energy progress', 2489.3453254018605)
('Driving force', 2163.1411334126969)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-93050.90601913, 4991.93258922, 94767.30590883]))
('reduced_hessian modified eigenvalues', array([ 4991.93258922, 93050.90601913, 94767.30590883]))
('NEW_L_MULTIPLIERS', array([ 2.87664772e+04, -4.79510288e+04, 1.75245474e+04,
5.85209110e+03, -2.82909813e+05, -5.47413980e+04,
9.55937378e+14]))
('L_CONSTRAINTS', array([ 1.99997788e-12, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, 1.00000000e-12, 1.90000000e-01,
-1.90000000e-01]))
('penalty', 10000)
('old_driving_force', 181628101789986.44, 0.19000000000100004)
('sublsum', -181628101858172.44)
(1.0, -38597.346846226566, 0.072869910037815372)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 7.28699100e-02], NP=1e-12)])
('step', array([ -9.19608407e-13, -1.90000000e-01, 1.90000000e-01,
0.00000000e+00, -8.03875289e-02, 7.51761889e-03,
7.28699100e-02, 0.00000000e+00, 1.79340822e-01,
-1.79340822e-01]))
('conv_angle', 60.442926293222243)
('Site fractions', array([ 1.00000000e-12, 8.10000000e-01, 1.90000000e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
7.28699100e-02, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ -2.82909813e+05, -5.47413980e+04, 9.55937378e+14]))
('Chem pot progress', array([ -2.31415064e+05, -1.70210174e+04, 9.55937378e+14]))
('Energy progress', -2491.794279202244)
('Driving force', -181628101806007.25)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 7.28699100e-02], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -4.70084738e+14, 2.51572571e+03, 5.93019122e+14]))
('reduced_hessian modified eigenvalues', array([ 2.51575165e+03, 4.70084738e+14, 5.93019122e+14]))
('NEW_L_MULTIPLIERS', array([ -1.57159233e+13, -1.39762702e+13, 6.36936493e+12,
6.96202574e+11, 1.57159230e+13, 1.69466276e+13,
-6.01528106e+12]))
('L_CONSTRAINTS', array([ 9.19625487e-13, 0.00000000e+00, 7.28699100e-02,
0.00000000e+00, 1.00000000e-12, 9.92428362e-13,
0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -464135086592.94196, 0.072869910037815372)
('sublsum', 464135049262.47522)
(1.0, -60115414585.768845, 0.0026180478947861463)
(0.5, -262125250589.37759, 0.03643495501890763)
(0.25, -363130168591.16608, 0.054652432528361494)
(0.125, -413632627592.05487, 0.063761171283088433)
(0.0625, -438883857092.49976, 0.068315540660451965)
(0.03125, -451509471842.72217, 0.070592725349133717)
(0, -464135086592.94196, 0.072869910037815372)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 7.28699100e-02], NP=1e-12)])
('step', array([ -1.01501085e-12, 2.61804789e-03, -2.61804789e-03,
0.00000000e+00, 1.35472902e-02, -5.93184054e-02,
-2.70987948e-02, 0.00000000e+00, 2.14454424e-02,
-1.99888562e-02]))
('conv_angle', 101.45432441390186)
('Site fractions', array([ 1.00000000e-12, 8.10000000e-01, 1.90000000e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
7.28699100e-02, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ 1.57159230e+13, 1.69466276e+13, -6.01528106e+12]))
('Chem pot progress', array([ 1.57159233e+13, 1.69466276e+13, -9.61952659e+14]))
('Energy progress', 0.0)
('Driving force', -12583864984519.451)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 7.28699100e-02], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -1.39209014e+13, 2.65004779e+03, 1.09679798e+13]))
('reduced_hessian modified eigenvalues', array([ 2.65004765e+03, 1.09679798e+13, 1.39209014e+13]))
('NEW_L_MULTIPLIERS', array([ -5.78305127e+11, -6.76787928e+11, 2.11403904e+11,
1.96450780e+11, 1.77005509e+11, 1.88975079e+11,
6.88507841e+11]))
('L_CONSTRAINTS', array([ 9.19625487e-13, 0.00000000e+00, 7.28699100e-02,
0.00000000e+00, 1.00000000e-12, 9.92428362e-13,
0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -15405021475.510111, 0.072869910037815372)
('sublsum', 15404983487.282433)
(1.0, -912721922.16502619, 0.011683089803301246)
(0.5, -8158871698.8701506, 0.042276499920558305)
(0.25, -11781946587.198233, 0.05757320497918679)
(0.125, -13593484031.356237, 0.06522155750850113)
(0.0625, -14499252753.433685, 0.069045733773158202)
(0.03125, -14952137114.472048, 0.070957821905486843)
(0, -15405021475.510111, 0.072869910037815372)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 7.28699100e-02], NP=1e-12)])
('step', array([ -9.90054598e-13, 3.11724677e-03, -3.11724677e-03,
0.00000000e+00, -1.16830898e-02, -3.28767508e-02,
-2.83100694e-02, 0.00000000e+00, 2.55345733e-02,
-2.38002511e-02]))
('conv_angle', 107.68524958802091)
('Site fractions', array([ 1.00000000e-12, 8.10000000e-01, 1.90000000e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
7.28699100e-02, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ 1.77005509e+11, 1.88975079e+11, 6.88507841e+11]))
('Chem pot progress', array([ -1.55389175e+13, -1.67576525e+13, 6.70378890e+12]))
('Energy progress', 0.0)
('Driving force', -283886341470.57355)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 7.28699100e-02], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8648.86625459, -27261.1974342 , -232306.69449021,
-36687.37740922, -43853.32963855]))
('L_CONSTRAINTS', array([ 9.19625487e-13, 0.00000000e+00, 1.00000000e-12,
-7.54951657e-15, -7.28583860e-14]))
('penalty', 100.0)
('old_driving_force', -38049.033757763187, 9.9999999999999998e-13)
('sublsum', -5.0312493675830224e-09)
(1.0, -38049.03375776318, 1.0000333894311098e-12)
(0.5, -38049.033757763173, 9.9999999999999998e-13)
(0.25, -38049.033757763158, 9.9999999999999998e-13)
(0.125, -38049.033757763173, 9.9999999999999998e-13)
(0.0625, -38049.03375776318, 9.9999999999999998e-13)
(0.03125, -38049.033757763173, 9.9999999999999998e-13)
(0, -38049.033757763187, 9.9999999999999998e-13)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0)])
('step', array([ -1.00000000e-12, 7.52247113e-15, 7.28520420e-14,
0.00000000e+00, 3.33894311e-17]))
('conv_angle', 4.1888292693134233)
('Site fractions', array([ 1.00000000e-12, 8.10000000e-01, 1.90000000e-01,
1.00000000e+00]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-232306.69449021, -36687.37740922, -43853.32963855]))
('Chem pot progress', array([ -1.77005741e+11, -1.88975115e+11, -6.88507885e+11]))
('Energy progress', 0.0)
('Driving force', -0.12542496308742557)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8648.99168905, -27261.19742472, -232306.81991875,
-36687.50283736, -43853.45505002]))
('L_CONSTRAINTS', array([ 9.19625487e-13, 0.00000000e+00, 1.00000000e-12,
-7.54951657e-15, -7.28583860e-14]))
('penalty', 10.0)
('old_driving_force', -38049.033757763362, 9.9999999999999998e-13)
('sublsum', -5.0312493592072595e-09)
(1.0, -38049.033757763355, 1.0000333894311098e-12)
(0.5, -38049.033757763347, 9.9999999999999998e-13)
(0.25, -38049.033757763333, 9.9999999999999998e-13)
(0.125, -38049.033757763347, 9.9999999999999998e-13)
(0.0625, -38049.033757763355, 9.9999999999999998e-13)
(0.03125, -38049.033757763347, 9.9999999999999998e-13)
(0, -38049.033757763362, 9.9999999999999998e-13)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0)])
('step', array([ -1.00000000e-12, 7.52247113e-15, 7.28520420e-14,
0.00000000e+00, 3.33894311e-17]))
('conv_angle', 4.1888291665520372)
('Site fractions', array([ 1.00000000e-12, 8.10000000e-01, 1.90000000e-01,
1.00000000e+00]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-232306.81991875, -36687.50283736, -43853.45505002]))
('Chem pot progress', array([-0.12542854, -0.12542815, -0.12541147]))
('Energy progress', 0.0)
('Driving force', 1.2980308383703232e-08)
('Composition Sets', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8648.99168905, -27261.19742472, -232306.81991875,
-36687.50283736, -43853.45505002]))
('L_CONSTRAINTS', array([ 9.19625487e-13, 0.00000000e+00, 1.00000000e-12,
-7.54951657e-15, -7.28583860e-14]))
('penalty', 1.0)
('old_driving_force', -38049.033757763384, 9.9999999999999998e-13)
('sublsum', -5.0312493592072595e-09)
(1.0, -38049.033757763376, 1.0000333894311098e-12)
(0.5, -38049.033757763369, 9.9999999999999998e-13)
(0.25, -38049.033757763355, 9.9999999999999998e-13)
(0.125, -38049.033757763369, 9.9999999999999998e-13)
(0.0625, -38049.033757763376, 9.9999999999999998e-13)
(0.03125, -38049.033757763369, 9.9999999999999998e-13)
(0, -38049.033757763384, 9.9999999999999998e-13)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0)])
('step', array([ -1.00000000e-12, 7.52247113e-15, 7.28520420e-14,
0.00000000e+00, 3.33894311e-17]))
('conv_angle', 4.1888291665520372)
('Site fractions', array([ 1.00000000e-12, 8.10000000e-01, 1.90000000e-01,
1.00000000e+00]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-232306.81991875, -36687.50283736, -43853.45505002]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 1.2980308383703232e-08)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000094e-01 1.89999906e-01], NP=1.0), -5.136826075613499e-09), (CompositionSet(BCC_A2, [ 1.00000000e-12 8.09999995e-01 1.90000005e-01], NP=1.0), -5.056790541857481e-09), (CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000005e-01 1.89999995e-01], NP=1.0), -5.042238626629114e-09), (CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000000e-01 1.90000000e-01], NP=1.0), -5.027686711400747e-09), (CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000001e-01 1.89999999e-01], NP=1.0), -5.042238626629114e-09), (CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000006e-01 1.89999994e-01], NP=1.0), -5.0495145842432976e-09), (CompositionSet(BCC_A2, [ 1.00000000e-12 8.10000050e-01 1.89999950e-01], NP=1.0), -5.085894372314215e-09)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': [(CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 59.55390026828536), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 59.55390026828536), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 59.55390026828536), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 59.55390026828536), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 59.55390026828536), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 59.55390026828536), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 59.55390026828536), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 59.55390026828536), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 59.55390026828536), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 59.55390026828536)]})
---------------------------------------------------------------------------
ValueError Traceback (most recent call last)
<ipython-input-5-f5441e306bc5> in <module>()
1 start = time()
2 fig = plt.figure(figsize=(10,10))
----> 3 equilibrium(dbf, comps, phases, conditions, x=v.X('V'), y=v.X('TI'), verbose=True)
4 print('Walltime: {}'.format(time()-start))
/Users/brandon/Projects/pycalphad/pycalphad/core/equilibrium.py in equilibrium(dbf, comps, phases, conditions, output, model, verbose, broadcast, calc_opts, scheduler, parameters, **kwargs)
356 properties = delayed(properties.merge, pure=False)(eqcal, inplace=True, compat='equals')
357 if scheduler is not None:
--> 358 properties = dask.compute(properties, get=scheduler)[0]
359 properties.attrs['created'] = datetime.utcnow()
360 if len(kwargs) > 0:
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/base.py in compute(*args, **kwargs)
177 dsk = merge(var.dask for var in variables)
178 keys = [var._keys() for var in variables]
--> 179 results = get(dsk, keys, **kwargs)
180
181 results_iter = iter(results)
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in get_sync(dsk, keys, **kwargs)
521 queue = Queue()
522 return get_async(apply_sync, 1, dsk, keys, queue=queue,
--> 523 raise_on_exception=True, **kwargs)
524
525
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in get_async(apply_async, num_workers, dsk, result, cache, queue, get_id, raise_on_exception, rerun_exceptions_locally, callbacks, **kwargs)
488 f(key, res, dsk, state, worker_id)
489 while state['ready'] and len(state['running']) < num_workers:
--> 490 fire_task()
491
492 # Final reporting
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in fire_task()
459 # Submit
460 apply_async(execute_task, args=[key, dsk[key], data, queue,
--> 461 get_id, raise_on_exception])
462
463 # Seed initial tasks into the thread pool
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in apply_sync(func, args, kwds)
509 def apply_sync(func, args=(), kwds={}):
510 """ A naive synchronous version of apply_async """
--> 511 return func(*args, **kwds)
512
513
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in execute_task(key, task, data, queue, get_id, raise_on_exception)
265 """
266 try:
--> 267 result = _execute_task(task, data)
268 id = get_id()
269 result = key, result, None, id
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in _execute_task(arg, cache, dsk)
247 func, args = arg[0], arg[1:]
248 args2 = [_execute_task(a, cache) for a in args]
--> 249 return func(*args2)
250 elif not ishashable(arg):
251 return arg
/Users/brandon/Projects/pycalphad/pycalphad/core/eqsolver.pyx in pycalphad.core.eqsolver._solve_eq_at_conditions (pycalphad/core/eqsolver.c:23270)()
/Users/brandon/Projects/pycalphad/pycalphad/core/eqsolver.pyx in pycalphad.core.eqsolver.add_new_phases (pycalphad/core/eqsolver.c:9833)()
/Users/brandon/Projects/pycalphad/pycalphad/core/hyperplane.pyx in pycalphad.core.hyperplane.hyperplane (pycalphad/core/hyperplane.c:4073)()
ValueError: ('Max hull iterations exceeded. Remaining driving force: ', -4.9591064453125e-05)
<matplotlib.figure.Figure at 0x113516550>
In [40]:
%matplotlib inline
from matplotlib import pyplot as plt
from pycalphad import Database, equilibrium, variables as v
from time import time
dbfile = '/Users/brandon/Box Sync/databases/nims-databases/Cr-Ti-V.tdb'
dbf = Database(dbfile)
comps = ['CR', 'TI', 'V', 'VA']
phases = list(dbf.phases.keys())
#conditions = {v.X('TI'): (0.1,1, 0.04), v.X('V'): (0.0, 1, 0.04), v.P: 101325, v.T: 873} # -39793
conditions = {v.X('TI'): (0.5,1, 0.04), v.X('V'): (0.0, 1, 0.04), v.P: 101325, v.T: 873}
equilibrium(dbf, comps, phases, conditions, verbose=True)
Calculation Backend: Compiled (autowrap)
Components: CR TI V VA
Phases: BCC_A2 HCP_A3 LAVES_C14 LAVES_C15 LAVES_C36 LIQUID [done]
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.4815884194980832), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.5184115805019169)])
('reduced_hessian eigenvalues', array([ 4.06603034e+03, 1.59317509e+04, 2.50269677e+14,
7.57705693e+14, 8.63306718e+14]))
('NEW_L_MULTIPLIERS', array([ -3703.0496024 , -11624.04687565, 4780.97775804, -13346.38802404,
-41313.47018488, -38078.9104569 , -44180.55088242]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -1.09164080e-02, 3.91411121e-02,
-2.82247041e-02]))
('penalty', 10000)
('old_driving_force', -39090.221132154482, 0.039141112134589928)
('sublsum', -206.31176282410959)
(1.0, -39983.760978548555, 0.00045734039955144801)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61493808 0.33333333 0.05172858], NP=0.48626201716573), CompositionSet(BCC_A2, [ 0.1578629 0.65840723 0.18372987], NP=0.5137379828342701)])
('step', array([ 3.35182359e-02, 3.53090855e-11, -3.35182359e-02,
2.18274801e-11, -5.24293317e-11, 3.06020573e-11,
-3.58770091e-03, -7.19229852e-02, 7.55106862e-02,
0.00000000e+00, 4.67359767e-03, -4.67359767e-03]))
('conv_angle', 88.39491394322846)
('Site fractions', array([ 9.22407125e-01, 3.63090855e-11, 7.75928752e-02,
2.28274801e-11, 1.00000000e+00, 3.16020573e-11,
1.57862901e-01, 6.58407226e-01, 1.83729873e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.48626202, 0.51373798]))
('Chemical potentials', array([-41313.47018488, -38078.9104569 , -44180.55088242]))
('Chem pot progress', array([ 79.06838517, -481.32252142, 687.78079695]))
('Energy progress', -78.350866844892153)
('Driving force', 47.332218053998076)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61493808 0.33333333 0.05172858], NP=0.48626201716573), CompositionSet(BCC_A2, [ 0.1578629 0.65840723 0.18372987], NP=0.5137379828342701)])
('reduced_hessian eigenvalues', array([ 4.54017914e+03, 1.68922484e+04, 1.29781933e+13,
3.37507676e+13, 4.25698192e+13]))
('NEW_L_MULTIPLIERS', array([ -3746.1604986 , -11866.8766751 , 4567.73407297, -13210.28466576,
-41340.41113862, -37775.66927217, -44995.23641576]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 1.14062062e-16, -5.55111512e-17,
0.00000000e+00, 1.21201303e-04, 3.36139096e-04,
-4.57340400e-04]))
('penalty', 10000)
('old_driving_force', -39984.23223309491, 0.00045734039955144801)
('sublsum', -2.8543783683671196)
(1.0, -39993.168552969422, 8.3271774557247547e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61735827 0.33333333 0.04930839], NP=0.4935479201593546), CompositionSet(BCC_A2, [ 0.14885393 0.66236317 0.18878291], NP=0.5064520798406454)])
('step', array([ 3.63028265e-03, 7.62125216e-10, -3.63028341e-03,
2.72494744e-10, -8.29916157e-10, 5.57421299e-10,
-9.00897470e-03, 3.95594195e-03, 5.05303275e-03,
0.00000000e+00, 7.28590299e-03, -7.28590299e-03]))
('conv_angle', 89.811856148079897)
('Site fractions', array([ 9.26037407e-01, 7.98434302e-10, 7.39625918e-02,
2.95322224e-10, 9.99999999e-01, 5.89023357e-10,
1.48853927e-01, 6.62363168e-01, 1.88782906e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.49354792, 0.50645208]))
('Chemical potentials', array([-41340.41113862, -37775.66927217, -44995.23641576]))
('Chem pot progress', array([ -26.94095375, 303.24118473, -814.68553334]))
('Energy progress', -4.228438700396509)
('Driving force', 1.7852501935922191)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61735827 0.33333333 0.04930839], NP=0.4935479201593546), CompositionSet(BCC_A2, [ 0.14885393 0.66236317 0.18878291], NP=0.5064520798406454)])
('reduced_hessian eigenvalues', array([ 5.01963615e+03, 1.75697119e+04, 7.68711512e+11,
1.55426056e+12, 3.02362942e+12]))
('NEW_L_MULTIPLIERS', array([ -3743.46211254, -11869.99237148, 4564.01911399, -13209.75987298,
-41348.41230367, -37764.1807071 , -45002.89420665]))
('L_CONSTRAINTS', array([ 5.55111512e-17, -2.89713092e-17, -5.55111512e-17,
0.00000000e+00, 8.32717746e-05, -2.88226076e-05,
-5.44491670e-05]))
('penalty', 10000)
('old_driving_force', -39993.167972528143, 8.3271774557247547e-05)
('sublsum', -0.0015909536368282841)
(1.0, -39994.834452807052, 1.9756570268647522e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61734507 0.33333334 0.04932159], NP=0.4935610469144812), CompositionSet(BCC_A2, [ 0.14869022 0.6624286 0.18888118], NP=0.5064389530855188)])
('step', array([ -1.97977205e-05, 1.40512312e-08, 1.97836692e-05,
2.71838825e-09, -1.12322696e-08, 8.51388141e-09,
-1.63703703e-04, 6.54334883e-05, 9.82702151e-05,
0.00000000e+00, 1.31267551e-05, -1.31267551e-05]))
('conv_angle', 89.990469591546329)
('Site fractions', array([ 9.26017610e-01, 1.48496655e-08, 7.39823754e-02,
3.01371047e-09, 9.99999988e-01, 9.10290477e-09,
1.48690223e-01, 6.62428601e-01, 1.88881176e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.49356105, 0.50643895]))
('Chemical potentials', array([-41348.41230367, -37764.1807071 , -45002.89420665]))
('Chem pot progress', array([ -8.00116505, 11.48856507, -7.65779089]))
('Energy progress', -0.09675989230163395)
('Driving force', -0.00015857831022003666)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61734507 0.33333334 0.04932159], NP=0.4935610469144812), CompositionSet(BCC_A2, [ 0.14869022 0.6624286 0.18888118], NP=0.5064389530855188)])
('reduced_hessian eigenvalues', array([ 5.02788979e+03, 1.75656555e+04, 5.23491329e+10,
8.47813021e+10, 2.77525836e+11]))
('NEW_L_MULTIPLIERS', array([ -3743.45941207, -11870.01922992, 4564.00654794, -13209.72911943,
-41348.44572068, -37764.17558134, -45002.88856845]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 2.72805159e-18, 2.77555756e-17,
0.00000000e+00, 1.97565703e-09, -8.58855542e-10,
-1.11680154e-09]))
('penalty', 10000)
('old_driving_force', -39994.834452806972, 1.9756570268647522e-09)
('sublsum', -0.0093004188884022593)
(1.0, -39994.842525298664, 7.751577157932843e-13)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61734464 0.33333344 0.04932192], NP=0.4935623049392119), CompositionSet(BCC_A2, [ 0.14868948 0.66242932 0.1888812 ], NP=0.5064376950607882)])
('step', array([ -6.68519659e-07, 2.17918652e-07, 4.50601007e-07,
2.07396594e-08, -1.27389425e-07, 1.06649765e-07,
-7.40458388e-07, 7.18986719e-07, 2.14716693e-08,
0.00000000e+00, 1.25802473e-06, -1.25802473e-06]))
('conv_angle', 83.790622112330666)
('Site fractions', array([ 9.26016941e-01, 2.32768318e-07, 7.39828260e-02,
2.37533699e-08, 9.99999860e-01, 1.15752670e-07,
1.48689483e-01, 6.62429320e-01, 1.88881197e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.4935623, 0.5064377]))
('Chemical potentials', array([-41348.44572068, -37764.17558134, -45002.88856845]))
('Chem pot progress', array([-0.03341701, 0.00512576, 0.0056382 ]))
('Energy progress', -0.008034001199121121)
('Driving force', 0.0012674256504396908)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61734464 0.33333344 0.04932192], NP=0.4935623049392119), CompositionSet(BCC_A2, [ 0.14868948 0.66242932 0.1888812 ], NP=0.5064376950607882)])
('reduced_hessian eigenvalues', array([ 5.02838232e+03, 1.75683553e+04, 4.12684027e+09,
5.62792763e+09, 3.37571901e+10]))
('NEW_L_MULTIPLIERS', array([ -3743.4437076 , -11870.31096165, 4563.87213616, -13209.39962367,
-41348.77604351, -37764.12170612, -45002.81748148]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 1.72558478e-17, -2.77555756e-17,
0.00000000e+00, 3.79585252e-13, -7.75157716e-13,
3.95627975e-13]))
('penalty', 10000)
('old_driving_force', -39994.842525298664, 7.751577157932843e-13)
('sublsum', -0.091322021780074897)
(1.0, -39994.919941903863, 8.3104412240686543e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61733976 0.3333349 0.04932534], NP=0.49357604400767185), CompositionSet(BCC_A2, [ 0.14868152 0.66243683 0.18888165], NP=0.5064239559923281)])
('step', array([ -7.36894693e-06, 2.77536390e-06, 4.59358303e-06,
1.14428030e-07, -1.17627695e-06, 1.06184892e-06,
-7.96351025e-06, 7.50691269e-06, 4.56597557e-07,
0.00000000e+00, 1.37390685e-05, -1.37390685e-05]))
('conv_angle', 83.003828963355332)
('Site fractions', array([ 9.26009572e-01, 3.00813222e-06, 7.39874196e-02,
1.38181400e-07, 9.99998684e-01, 1.17760159e-06,
1.48681519e-01, 6.62436827e-01, 1.88881654e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.49357604, 0.50642396]))
('Chemical potentials', array([-41348.77604351, -37764.12170612, -45002.81748148]))
('Chem pot progress', array([-0.33032283, 0.05387522, 0.07108697]))
('Energy progress', -0.07741869404708268)
('Driving force', 0.013903805273002945)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61733976 0.3333349 0.04932534], NP=0.49357604400767185), CompositionSet(BCC_A2, [ 0.14868152 0.66243683 0.18888165], NP=0.5064239559923281)])
('reduced_hessian eigenvalues', array([ 5.02769496e+03, 1.75668768e+04, 3.66075524e+08,
4.95407739e+08, 5.65262904e+09]))
('NEW_L_MULTIPLIERS', array([ -3743.3538477 , -11872.59171663, 4562.80548645, -13206.75415128,
-41351.28249734, -37763.7195783 , -45002.25481405]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -7.27993054e-17, 2.77555756e-17,
0.00000000e+00, 4.24402735e-11, -8.31044122e-11,
4.06640832e-11]))
('penalty', 10000)
('old_driving_force', -39994.919941903747, 8.3104412240686543e-11)
('sublsum', -0.69776916884988438)
(1.0, -39995.497252574613, 4.3729819210192034e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61729737 0.33335085 0.04935177], NP=0.49368581661548544), CompositionSet(BCC_A2, [ 0.14862124 0.66249262 0.18888614], NP=0.5063141833845146)])
('step', array([ -6.37903983e-05, 2.81759427e-05, 3.56144556e-05,
4.22432376e-07, -8.49533205e-06, 8.07289967e-06,
-6.02757933e-05, 5.57889164e-05, 4.48687687e-06,
0.00000000e+00, 1.09772608e-04, -1.09772608e-04]))
('conv_angle', 81.356164317927323)
('Site fractions', array([ 9.25945782e-01, 3.11840749e-05, 7.40230341e-02,
5.60613776e-07, 9.99990189e-01, 9.25050127e-06,
1.48621243e-01, 6.62492616e-01, 1.88886141e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.49368582, 0.50631418]))
('Chemical potentials', array([-41351.28249734, -37763.7195783 , -45002.25481405]))
('Chem pot progress', array([-2.50645383, 0.40212782, 0.56266743]))
('Energy progress', -0.577420506029739)
('Driving force', 0.12037579291063594)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61729737 0.33335085 0.04935177], NP=0.49368581661548544), CompositionSet(BCC_A2, [ 0.14862124 0.66249262 0.18888614], NP=0.5063141833845146)])
('reduced_hessian eigenvalues', array([ 5.02156350e+03, 1.75636951e+04, 3.70022176e+07,
6.11405449e+07, 1.37197606e+09]))
('NEW_L_MULTIPLIERS', array([ -3743.07218092, -11885.87060892, 4556.44551014, -13190.72856154,
-41365.26358124, -37761.53536843, -44998.91536644]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 5.32699021e-17, -2.77555756e-17,
0.00000000e+00, 1.96379596e-09, -4.37298192e-09,
2.40918602e-09]))
('penalty', 10000)
('old_driving_force', -39995.497252545654, 4.3729819210192034e-09)
('sublsum', -3.9401879566060551)
(1.0, -39998.653809404328, 1.1234078978183959e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6170138 0.33348207 0.04950413], NP=0.49434616006981247), CompositionSet(BCC_A2, [ 0.14828648 0.66279396 0.18891956], NP=0.5056538399301875)])
('step', array([ -4.25824663e-04, 2.19497886e-04, 2.06326777e-04,
9.29764084e-07, -4.53526029e-05, 4.44228388e-05,
-3.34758781e-04, 3.01339177e-04, 3.34196048e-05,
0.00000000e+00, 6.60343454e-04, -6.60343454e-04]))
('conv_angle', 79.050612506111946)
('Site fractions', array([ 9.25519957e-01, 2.50681960e-04, 7.42293608e-02,
1.49037786e-06, 9.99944836e-01, 5.36733401e-05,
1.48286484e-01, 6.62793955e-01, 1.88919560e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.49434616, 0.50565384]))
('Chemical potentials', array([-41365.26358124, -37761.53536843, -44998.91536644]))
('Chem pot progress', array([-13.9810839 , 2.18420987, 3.33944761]))
('Energy progress', -3.1593819369445555)
('Driving force', 0.78163284258334897)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6170138 0.33348207 0.04950413], NP=0.49434616006981247), CompositionSet(BCC_A2, [ 0.14828648 0.66279396 0.18891956], NP=0.5056538399301875)])
('reduced_hessian eigenvalues', array([ 4.99455859e+03, 1.75470112e+04, 4.67610707e+06,
1.04707941e+07, 5.12278082e+08]))
('NEW_L_MULTIPLIERS', array([ -3743.29875874, -11940.04720299, 4529.48915438, -13121.24534653,
-41418.57143955, -37753.59050108, -44984.96061151]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -1.97392558e-17, -2.77555756e-17,
0.00000000e+00, 3.38000723e-08, -1.12340790e-07,
7.85407174e-08]))
('penalty', 10000)
('old_driving_force', -39998.653807806004, 1.1234078978183959e-07)
('sublsum', -15.387120411517568)
(1.0, -40010.46199976511, 1.2355957430820741e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61561994 0.3342604 0.05011965], NP=0.49718075325918326), CompositionSet(BCC_A2, [ 0.14702151 0.6638793 0.18909918], NP=0.5028192467408168)])
('step', array([ -2.09129534e-03, 1.25042911e-03, 8.40866232e-04,
1.01975747e-06, -1.65851437e-04, 1.64831680e-04,
-1.26497055e-03, 1.08534796e-03, 1.79622591e-04,
0.00000000e+00, 2.83459319e-03, -2.83459319e-03]))
('conv_angle', 75.7798461326867)
('Site fractions', array([ 9.23428662e-01, 1.50111107e-03, 7.50702271e-02,
2.51013533e-06, 9.99778985e-01, 2.18505020e-04,
1.47021514e-01, 6.63879303e-01, 1.89099183e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.49718075, 0.50281925]))
('Chemical potentials', array([-41418.57143955, -37753.59050108, -44984.96061151]))
('Chem pot progress', array([-53.30785831, 7.94486735, 13.95475493]))
('Energy progress', -11.837561308471777)
('Driving force', 3.5609592712571612)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61561994 0.3342604 0.05011965], NP=0.49718075325918326), CompositionSet(BCC_A2, [ 0.14702151 0.6638793 0.18909918], NP=0.5028192467408168)])
('reduced_hessian eigenvalues', array([ 4.91599159e+03, 1.74658423e+04, 7.86416476e+05,
2.57644279e+06, 3.04426097e+08]))
('NEW_L_MULTIPLIERS', array([ -3749.38595109, -12083.74471139, 4453.30629122, -12918.20553066,
-41543.61778143, -37736.7542159 , -44947.04955299]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -1.00803697e-16, -2.77555756e-17,
0.00000000e+00, -3.65340565e-07, -8.70255178e-07,
1.23559574e-06]))
('penalty', 10000)
('old_driving_force', -40010.462077640492, 1.2355957430820741e-06)
('sublsum', -38.051834901386258)
(1.0, -40037.852693938446, 1.5235490111564776e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61085667 0.33739971 0.05174361], NP=0.5053437593241281), CompositionSet(BCC_A2, [ 0.14412465 0.66612812 0.18974724], NP=0.49465624067587194)])
('step', array([ -7.14511999e-03, 4.89857747e-03, 2.24654252e-03,
4.24715541e-07, -3.79222151e-04, 3.78797436e-04,
-2.89686495e-03, 2.24881282e-03, 6.48052127e-04,
0.00000000e+00, 8.16300606e-03, -8.16300606e-03]))
('conv_angle', 71.261162048547718)
('Site fractions', array([ 9.16283542e-01, 6.39968854e-03, 7.73167696e-02,
2.93485087e-06, 9.99399763e-01, 5.97302456e-04,
1.44124649e-01, 6.66128116e-01, 1.89747235e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.50534376, 0.49465624]))
('Chemical potentials', array([-41543.61778143, -37736.7542159 , -44947.04955299]))
('Chem pot progress', array([-125.04634188, 16.83628518, 37.91105852]))
('Energy progress', -27.662536271003773)
('Driving force', 10.440407512236561)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61085667 0.33739971 0.05174361], NP=0.5053437593241281), CompositionSet(BCC_A2, [ 0.14412465 0.66612812 0.18974724], NP=0.49465624067587194)])
('reduced_hessian eigenvalues', array([ 4.74866688e+03, 1.71725307e+04, 1.85957478e+05,
9.53274159e+05, 2.63625094e+08]))
('NEW_L_MULTIPLIERS', array([ -3774.15956211, -12310.83288025, 4319.44700675, -12543.17167045,
-41692.27124222, -37722.1918021 , -44886.34833467]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 7.05815614e-17, 1.11022302e-16,
0.00000000e+00, -1.52354901e-05, 7.26914148e-06,
7.96634863e-06]))
('penalty', 10000)
('old_driving_force', -40037.85554817009, 1.5235490111564776e-05)
('sublsum', -52.046782670338096)
(1.0, -40071.065681179469, 0.0001061924794043545)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60042657 0.3452683 0.05430512], NP=0.520092718415385), CompositionSet(BCC_A2, [ 0.14089455 0.66787638 0.19122907], NP=0.47990728158461504)])
('step', array([ -1.56451951e-02, 1.20566138e-02, 3.58858139e-03,
9.00080266e-08, -5.07456721e-04, 5.07366713e-04,
-3.23010186e-03, 1.74826387e-03, 1.48183799e-03,
0.00000000e+00, 1.47489591e-02, -1.47489591e-02]))
('conv_angle', 65.964386345767792)
('Site fractions', array([ 9.00638347e-01, 1.84563023e-02, 8.09053510e-02,
3.02485890e-06, 9.98892306e-01, 1.10466917e-03,
1.40894547e-01, 6.67876380e-01, 1.91229073e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.52009272, 0.47990728]))
('Chemical potentials', array([-41692.27124222, -37722.1918021 , -44886.34833467]))
('Chem pot progress', array([-148.6534608 , 14.5624138 , 60.70121832]))
('Energy progress', -34.725176438645576)
('Driving force', 17.33124249028333)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60042657 0.3452683 0.05430512], NP=0.520092718415385), CompositionSet(BCC_A2, [ 0.14089455 0.66787638 0.19122907], NP=0.47990728158461504)])
('reduced_hessian eigenvalues', array([ 4.44997282e+03, 1.64664706e+04, 6.61984878e+04,
5.26822317e+05, 2.61944326e+08]))
('NEW_L_MULTIPLIERS', array([ -3821.08463478, -12505.17649342, 4186.57502631, -12146.90151269,
-41736.91137272, -37728.78232202, -44831.9967956 ]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 6.02816408e-17, -8.32667268e-17,
0.00000000e+00, -1.06192479e-04, 9.02684436e-05,
1.59240358e-05]))
('penalty', 10000)
('old_driving_force', -40071.070692205481, 0.0001061924794043545)
('sublsum', -30.543239127547135)
(1.0, -40088.040533975349, 0.00018001262346872826)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58786669 0.35573038 0.05640293], NP=0.5352654223997768), CompositionSet(BCC_A2, [ 0.1401989 0.6665497 0.1932514], NP=0.4647345776002232)])
('step', array([ -1.88398753e-02, 1.59015980e-02, 2.93827735e-03,
9.03199023e-08, -4.16955505e-04, 4.16865185e-04,
-6.95645332e-04, -1.32667982e-03, 2.02232515e-03,
0.00000000e+00, 1.51727040e-02, -1.51727040e-02]))
('conv_angle', 61.960467159751694)
('Site fractions', array([ 8.81798471e-01, 3.43579003e-02, 8.38436283e-02,
3.11517880e-06, 9.98475350e-01, 1.52153435e-03,
1.40198902e-01, 6.66549700e-01, 1.93251398e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.53526542, 0.46473458]))
('Chemical potentials', array([-41736.91137272, -37728.78232202, -44831.9967956 ]))
('Chem pot progress', array([-44.6401305 , -6.59051992, 54.35153907]))
('Energy progress', -18.04538715959643)
('Driving force', 12.61631167356245)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58786669 0.35573038 0.05640293], NP=0.5352654223997768), CompositionSet(BCC_A2, [ 0.1401989 0.6665497 0.1932514], NP=0.4647345776002232)])
('reduced_hessian eigenvalues', array([ 4.11227192e+03, 1.53583735e+04, 3.76562823e+04,
3.90994336e+05, 2.60394362e+08]))
('NEW_L_MULTIPLIERS', array([ -3855.23856151, -12578.71820599, 4128.13389285, -11962.03120643,
-41705.90990525, -37742.27265207, -44808.35196728]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -4.85722573e-17, -8.32667268e-17,
0.00000000e+00, -1.80012623e-04, 1.78867365e-04,
1.14525812e-06]))
('penalty', 10000)
('old_driving_force', -40088.032567419497, 0.00018001262346872826)
('sublsum', -4.5954777093971213)
(1.0, -40093.032008187976, 5.3170027058180303e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58165913 0.36127394 0.05706693], NP=0.5421817812423214), CompositionSet(BCC_A2, [ 0.14107353 0.66440568 0.19452079], NP=0.4578182187576786)])
('step', array([ -9.31135591e-03, 8.41448404e-03, 8.96871870e-04,
5.52775492e-08, -1.98310684e-04, 1.98255406e-04,
8.74627463e-04, -2.14402250e-03, 1.26939503e-03,
0.00000000e+00, 6.91635884e-03, -6.91635884e-03]))
('conv_angle', 60.244535352674632)
('Site fractions', array([ 8.72487115e-01, 4.27723843e-02, 8.47405002e-02,
3.17045635e-06, 9.98277040e-01, 1.71978976e-03,
1.41073529e-01, 6.64405678e-01, 1.94520793e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.54218178, 0.45781822]))
('Chemical potentials', array([-41705.90990525, -37742.27265207, -44808.35196728]))
('Chem pot progress', array([ 31.00146747, -13.49033005, 23.64482833]))
('Energy progress', -2.9442640638444573)
('Driving force', 2.2889173740768456)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58165913 0.36127394 0.05706693], NP=0.5421817812423214), CompositionSet(BCC_A2, [ 0.14107353 0.66440568 0.19452079], NP=0.4578182187576786)])
('reduced_hessian eigenvalues', array([ 3.95254836e+03, 1.46445598e+04, 3.15667122e+04,
3.49326858e+05, 2.58488597e+08]))
('NEW_L_MULTIPLIERS', array([ -3860.73382684, -12586.17078035, 4121.4531408 , -11939.9215485 ,
-41697.39127819, -37744.99493035, -44805.45194965]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 7.69783542e-17, 2.77555756e-17,
0.00000000e+00, -4.89828958e-05, 5.31700271e-05,
-4.18713127e-06]))
('penalty', 10000)
('old_driving_force', -40093.031434034594, 5.3170027058180303e-05)
('sublsum', -0.062622405291924227)
(1.0, -40094.107931884821, 9.2322861156013403e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58089885 0.36198666 0.05711449], NP=0.5429960990968004), CompositionSet(BCC_A2, [ 0.14129723 0.66398466 0.19471811], NP=0.45700390090319964)])
('step', array([ -1.14042493e-03, 1.08361384e-03, 5.68110894e-05,
7.71627415e-09, -2.90539600e-05, 2.90462437e-05,
2.23705655e-04, -4.21020199e-04, 1.97314544e-04,
0.00000000e+00, 8.14317854e-04, -8.14317854e-04]))
('conv_angle', 58.938258919873071)
('Site fractions', array([ 8.71346691e-01, 4.38559982e-02, 8.47973113e-02,
3.17817262e-06, 9.98247986e-01, 1.74883600e-03,
1.41297235e-01, 6.63984657e-01, 1.94718108e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.5429961, 0.4570039]))
('Chemical potentials', array([-41697.39127819, -37744.99493035, -44805.45194965]))
('Chem pot progress', array([ 8.51862706, -2.72227828, 2.90001763]))
('Energy progress', -0.250696763760061)
('Driving force', 0.03398839122382924)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58089885 0.36198666 0.05711449], NP=0.5429960990968004), CompositionSet(BCC_A2, [ 0.14129723 0.66398466 0.19471811], NP=0.45700390090319964)])
('reduced_hessian eigenvalues', array([ 3.92948926e+03, 1.45385005e+04, 3.09790104e+04,
3.43920963e+05, 2.58165131e+08]))
('NEW_L_MULTIPLIERS', array([ -3860.80389493, -12586.24146585, 4121.38034697, -11939.67032299,
-41697.2594428 , -37745.03391687, -44805.4238305 ]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 6.89552582e-17, 8.32667268e-17,
0.00000000e+00, -8.01277670e-07, 9.23228612e-07,
-1.21950942e-07]))
('penalty', 10000)
('old_driving_force', -40094.10793173976, 9.2322861156013403e-07)
('sublsum', -9.5872594694974539e-06)
(1.0, -40094.12639831999, 1.3929368769538542e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58088968 0.36199546 0.05711486], NP=0.5430052383884865), CompositionSet(BCC_A2, [ 0.1413011 0.66397822 0.19472068], NP=0.4569947616115135)])
('step', array([ -1.37641644e-05, 1.34166667e-05, 3.47497737e-07,
9.56847546e-11, -4.27023685e-07, 4.26928000e-07,
3.86474745e-06, -6.43908847e-06, 2.57434102e-06,
0.00000000e+00, 9.13929169e-06, -9.13929169e-06]))
('conv_angle', 57.388291887776745)
('Site fractions', array([ 8.71332926e-01, 4.38694148e-02, 8.47976588e-02,
3.17826831e-06, 9.98247559e-01, 1.74926293e-03,
1.41301100e-01, 6.63978218e-01, 1.94720682e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.54300524, 0.45699476]))
('Chemical potentials', array([-41697.2594428 , -37745.03391687, -44805.4238305 ]))
('Chem pot progress', array([ 0.1318354 , -0.03898651, 0.02811915]))
('Energy progress', -0.00403203209862113)
('Driving force', 5.250403773970902e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58088968 0.36199546 0.05711486], NP=0.5430052383884865), CompositionSet(BCC_A2, [ 0.1413011 0.66397822 0.19472068], NP=0.4569947616115135)])
('reduced_hessian eigenvalues', array([ 3.92860608e+03, 1.45343420e+04, 3.09700522e+04,
3.43839065e+05, 2.58160719e+08]))
('NEW_L_MULTIPLIERS', array([ -3860.80393588, -12586.24156176, 4121.38031358, -11939.67027895,
-41697.25941671, -37745.03394077, -44805.42376975]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -1.25767452e-16, 0.00000000e+00,
0.00000000e+00, -1.19183940e-10, 1.39293688e-10,
-2.01098027e-11]))
('penalty', 10000)
('old_driving_force', -40094.12639831999, 1.3929368769538542e-10)
('sublsum', -1.5409352619214621e-13)
(1.0, -40094.126401105852, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58088968 0.36199546 0.05711486], NP=0.5430052405967718), CompositionSet(BCC_A2, [ 0.1413011 0.66397822 0.19472068], NP=0.4569947594032282)])
('step', array([ -1.64673959e-09, 1.63098195e-09, 1.57576363e-11,
-5.25698903e-15, 5.70500157e-11, -5.70446329e-11,
-5.58926823e-10, -1.60126432e-10, 7.19053255e-10,
0.00000000e+00, 2.20828531e-09, -2.20828528e-09]))
('conv_angle', 75.052604871727297)
('Site fractions', array([ 8.71332925e-01, 4.38694165e-02, 8.47976588e-02,
3.17826830e-06, 9.98247559e-01, 1.74926287e-03,
1.41301099e-01, 6.63978218e-01, 1.94720683e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.54300524, 0.45699476]))
('Chemical potentials', array([-41697.25941671, -37745.03394077, -44805.42376975]))
('Chem pot progress', array([ 2.60859888e-05, -2.39034634e-05, 6.07455077e-05]))
('Energy progress', -6.13013980910182e-07)
('Driving force', 1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.1413011 0.66397822 0.19472068], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.1413011 0.66397822 0.19472068], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14130109 0.66397823 0.19472068], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14130109 0.66397823 0.19472067], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.1413011 0.66397822 0.19472068], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14130111 0.6639782 0.1947207 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.1413011 0.66397822 0.19472068], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14130109 0.66397823 0.19472068], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.58088969 0.36199545 0.05711486], NP=1.0), 2.9103830456733704e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.35675228627880684), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.6432477137211932)])
('reduced_hessian eigenvalues', array([ 4.12274981e+03, 1.17350783e+04, 1.93964353e+14,
5.82114445e+14, 7.22219760e+14]))
('NEW_L_MULTIPLIERS', array([ -3029.21606479, -9261.572792 , 5872.59409986, -15649.03128169,
-41236.42548243, -38467.40182008, -42555.74660599]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -2.47385069e-02, 8.87006672e-02,
-6.39621603e-02]))
('penalty', 10000)
('old_driving_force', -38048.24379161559, 0.088700667241600084)
('sublsum', -469.68072121769427)
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('Phase fractions', array([ 0.42838507, 0.57161493]))
('Chemical potentials', array([-41598.27627711, -38022.2677995 , -44040.50707458]))
('Chem pot progress', array([-141.77682776, 11.33410457, 61.86570241]))
('Energy progress', -27.09309287648648)
('Driving force', 13.810221245686989)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59460235 0.34515489 0.06024276], NP=0.42838507175703616), CompositionSet(BCC_A2, [ 0.14901631 0.61620668 0.23477702], NP=0.5716149282429638)])
('reduced_hessian eigenvalues', array([ 3.97853716e+03, 1.32996193e+04, 6.33509342e+04,
3.68098997e+05, 1.89099288e+08]))
('NEW_L_MULTIPLIERS', array([ -3188.97458256, -10224.22233319, 5159.63122304, -14549.55769343,
-41633.23290087, -38030.3079864 , -43998.5185928 ]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 1.99493200e-17, 8.32667268e-17,
0.00000000e+00, -1.01283887e-04, 9.21397641e-05,
9.14412273e-06]))
('penalty', 10000)
('old_driving_force', -40185.196250586596, 0.00010128388686614365)
('sublsum', -22.583054890259334)
(1.0, -40197.903059692901, 0.00014270238031965921)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58266313 0.35500685 0.06233002], NP=0.4407667690294825), CompositionSet(BCC_A2, [ 0.1484893 0.61453337 0.23697733], NP=0.5592332309705176)])
('step', array([ -1.79088862e-02, 1.50305041e-02, 2.87838208e-03,
1.10715051e-07, -5.05138208e-04, 5.05027493e-04,
-5.27004759e-04, -1.67331140e-03, 2.20031616e-03,
0.00000000e+00, 1.23816973e-02, -1.23816973e-02]))
('conv_angle', 60.256946216247364)
('Site fractions', array([ 8.73992878e-01, 3.34355875e-02, 9.25715344e-02,
3.63788330e-06, 9.98149373e-01, 1.84698933e-03,
1.48489301e-01, 6.14533367e-01, 2.36977332e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.44076677, 0.55923323]))
('Chemical potentials', array([-41633.23290087, -38030.3079864 , -43998.5185928 ]))
('Chem pot progress', array([-34.95662376, -8.04018691, 41.98848178]))
('Energy progress', -13.328066325855616)
('Driving force', 9.4590470480325166)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58266313 0.35500685 0.06233002], NP=0.4407667690294825), CompositionSet(BCC_A2, [ 0.1484893 0.61453337 0.23697733], NP=0.5592332309705176)])
('reduced_hessian eigenvalues', array([ 3.72734373e+03, 1.26742239e+04, 3.70140322e+04,
2.74049011e+05, 1.88006985e+08]))
('NEW_L_MULTIPLIERS', array([ -3212.40171407, -10269.00595489, 5120.44298742, -14424.54150435,
-41602.50223729, -38042.11923439, -43987.40980721]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -1.12757026e-17, -8.32667268e-17,
0.00000000e+00, -1.41302601e-04, 1.42702380e-04,
-1.39977900e-06]))
('penalty', 10000)
('old_driving_force', -40197.897016327152, 0.00014270238031965921)
('sublsum', -3.050334443093031)
(1.0, -40201.743990197407, 3.1649303631309245e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57725741 0.35987354 0.06286905], NP=0.4454234239543041), CompositionSet(BCC_A2, [ 0.14938726 0.61260349 0.23800926], NP=0.5545765760456959)])
('step', array([ -8.10861069e-03, 7.40925900e-03, 6.99351696e-04,
5.52423333e-08, -2.18437322e-04, 2.18382080e-04,
8.97957254e-04, -1.92988127e-03, 1.03192401e-03,
0.00000000e+00, 4.65665492e-03, -4.65665492e-03]))
('conv_angle', 56.581914946975125)
('Site fractions', array([ 8.65884267e-01, 4.08448465e-02, 9.32708861e-02,
3.69312564e-06, 9.97930935e-01, 2.06537141e-03,
1.49387258e-01, 6.12603486e-01, 2.38009256e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.44542342, 0.55457658]))
('Chemical potentials', array([-41602.50223729, -38042.11923439, -43987.40980721]))
('Chem pot progress', array([ 30.73066359, -11.81124799, 11.10878559]))
('Energy progress', -2.0191682210133877)
('Driving force', 1.518970757650095)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57725741 0.35987354 0.06286905], NP=0.4454234239543041), CompositionSet(BCC_A2, [ 0.14938726 0.61260349 0.23800926], NP=0.5545765760456959)])
('reduced_hessian eigenvalues', array([ 3.61695521e+03, 1.22622897e+04, 3.14076223e+04,
2.47267167e+05, 1.86889328e+08]))
('NEW_L_MULTIPLIERS', array([ -3215.3681426 , -10271.68060277, 5117.00682394, -14412.51237794,
-41595.49151612, -38044.11235591, -43986.80970969]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 4.81385765e-17, 2.77555756e-17,
0.00000000e+00, -2.93540593e-05, 3.16493036e-05,
-2.29524437e-06]))
('penalty', 10000)
('old_driving_force', -40201.743719946004, 3.1649303631309245e-05)
('sublsum', -0.034902983578079069)
(1.0, -40202.386631547488, 3.8232124954795665e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57666451 0.36044057 0.06289492], NP=0.4458569069162129), CompositionSet(BCC_A2, [ 0.14958195 0.61228854 0.23812952], NP=0.5541430930837872)])
('step', array([ -8.89345787e-04, 8.64344295e-04, 2.50014923e-05,
6.53763182e-09, -2.76056621e-05, 2.75991245e-05,
1.94687208e-04, -3.14947621e-04, 1.20260413e-04,
0.00000000e+00, 4.33482962e-04, -4.33482962e-04]))
('conv_angle', 53.370660708079846)
('Site fractions', array([ 8.64994922e-01, 4.17091908e-02, 9.32958876e-02,
3.69966327e-06, 9.97903330e-01, 2.09297054e-03,
1.49581945e-01, 6.12288538e-01, 2.38129516e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.44585691, 0.55414309]))
('Chemical potentials', array([-41595.49151612, -38044.11235591, -43986.80970969]))
('Chem pot progress', array([ 7.01072117, -1.99312152, 0.60009753]))
('Energy progress', -0.13400367568829097)
('Driving force', 0.01856901241990272)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57666451 0.36044057 0.06289492], NP=0.4458569069162129), CompositionSet(BCC_A2, [ 0.14958195 0.61228854 0.23812952], NP=0.5541430930837872)])
('reduced_hessian eigenvalues', array([ 3.60484582e+03, 1.22091594e+04, 3.08953597e+04,
2.44208974e+05, 1.86714042e+08]))
('NEW_L_MULTIPLIERS', array([ -3215.39742241, -10271.69481573, 5116.97718443, -14412.39843336,
-41595.4025709 , -38044.13557908, -43986.8101146 ]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -5.29090660e-17, 1.11022302e-16,
0.00000000e+00, -3.41403473e-07, 3.82321250e-07,
-4.09177760e-08]))
('penalty', 10000)
('old_driving_force', -40202.386631508263, 3.8232124954795665e-07)
('sublsum', -3.9131376220012622e-06)
(1.0, -40202.394279120621, 3.8464453844255786e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57665837 0.36044657 0.06289506], NP=0.4458608653714086), CompositionSet(BCC_A2, [ 0.14958446 0.61228482 0.23813072], NP=0.5541391346285914)])
('step', array([ -9.22266807e-06, 9.16754734e-06, 5.51207320e-08,
5.33607153e-11, -3.37413860e-07, 3.37360499e-07,
2.51223048e-06, -3.71779265e-06, 1.20556217e-06,
0.00000000e+00, 3.95845520e-06, -3.95845520e-06]))
('conv_angle', 52.022869033558543)
('Site fractions', array([ 8.64985699e-01, 4.17183583e-02, 9.32959427e-02,
3.69971663e-06, 9.97902992e-01, 2.09330790e-03,
1.49584458e-01, 6.12284820e-01, 2.38130722e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.44586087, 0.55413913]))
('Chemical potentials', array([-41595.4025709 , -38044.13557908, -43986.8101146 ]))
('Chem pot progress', array([ 0.08894522, -0.02322317, -0.00040492]))
('Energy progress', -0.0014573859662050381)
('Driving force', 2.0910956664010882e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57665837 0.36044657 0.06289506], NP=0.4458608653714086), CompositionSet(BCC_A2, [ 0.14958446 0.61228482 0.23813072], NP=0.5541391346285914)])
('reduced_hessian eigenvalues', array([ 3.60322152e+03, 1.22032633e+04, 3.08894935e+04,
2.44171682e+05, 1.86712745e+08]))
('NEW_L_MULTIPLIERS', array([ -3215.39742751, -10271.69482336, 5116.97718183, -14412.39841525,
-41595.40255586, -38044.13559503, -43986.81008365]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 2.34187669e-17, -1.11022302e-16,
0.00000000e+00, -3.42827988e-11, 3.84644538e-11,
-4.18157176e-12]))
('penalty', 10000)
('old_driving_force', -40202.394279120621, 3.8464453844255786e-11)
('sublsum', -3.7133625387513568e-14)
(1.0, -40202.394279889908, 2.7755575615628914e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57665837 0.36044657 0.06289506], NP=0.44586086574045936), CompositionSet(BCC_A2, [ 0.14958446 0.61228482 0.23813072], NP=0.5541391342595406)])
('step', array([ -1.19935842e-09, 8.39020985e-10, 3.60337375e-10,
-6.65122504e-16, -1.79397396e-11, 1.79403813e-11,
4.20776947e-10, -3.46931216e-10, -7.38456201e-11,
0.00000000e+00, 3.69050713e-10, -3.69050838e-10]))
('conv_angle', 55.353112004640892)
('Site fractions', array([ 8.64985698e-01, 4.17183592e-02, 9.32959431e-02,
3.69971663e-06, 9.97902992e-01, 2.09330792e-03,
1.49584458e-01, 6.12284820e-01, 2.38130722e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.44586087, 0.55413913]))
('Chemical potentials', array([-41595.40255586, -38044.13559503, -43986.81008365]))
('Chem pot progress', array([ 1.50378110e-05, -1.59493648e-05, 3.09556854e-05]))
('Energy progress', -1.4659599401056767e-07)
('Driving force', 7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.14958446 0.61228482 0.23813072], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14958446 0.61228482 0.23813072], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14958444 0.61228488 0.23813068], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.14958446 0.61228481 0.23813073], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14958446 0.61228482 0.23813072], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14958446 0.61228482 0.23813072], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14958446 0.61228482 0.23813072], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14958446 0.61228482 0.23813072], NP=1.0), 7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57665838 0.36044656 0.06289506], NP=1.0), -7.275957614183426e-12), (CompositionSet(LAVES_C15, [ 0.57665837 0.36044656 0.06289506], NP=1.0), 1.4551915228366852e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.39156893021968536), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.6084310697803147)])
('reduced_hessian eigenvalues', array([ 4.11752760e+03, 1.30191286e+04, 2.10973371e+14,
6.33882088e+14, 7.70875354e+14]))
('NEW_L_MULTIPLIERS', array([ -3026.60069831, -9636.43352675, 5492.16407516, -15627.98525663,
-41358.45194981, -37902.83402831, -44873.95736513]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -9.72758978e-03, 3.48785683e-02,
-2.51509785e-02]))
('penalty', 10000)
('old_driving_force', -39051.952398510592, 0.034878568306524471)
('sublsum', -175.59160676928045)
(1.0, -39830.430980518948, 0.00080842595640640003)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.62183412 0.33333333 0.04483255], NP=0.4005611704802979), CompositionSet(BCC_A2, [ 0.15224756 0.67887216 0.16888028], NP=0.5994388295197022)])
('step', array([ 4.38622912e-02, 3.57994225e-11, -4.38622913e-02,
2.19090243e-11, -5.26620830e-11, 3.07532541e-11,
-9.20304123e-03, -5.14580510e-02, 6.06610922e-02,
0.00000000e+00, 8.99224026e-03, -8.99224026e-03]))
('conv_angle', 88.106510663590356)
('Site fractions', array([ 9.32751180e-01, 3.67994225e-11, 6.72488198e-02,
2.29090243e-11, 1.00000000e+00, 3.17532541e-11,
1.52247561e-01, 6.78872160e-01, 1.68880279e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.40056117, 0.59943883]))
('Chemical potentials', array([-41358.45194981, -37902.83402831, -44873.95736513]))
('Chem pot progress', array([ 34.08662023, -305.24609283, -5.62568576]))
('Energy progress', -81.798078885811265)
('Driving force', 67.679422391513071)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.62183412 0.33333333 0.04483255], NP=0.4005611704802979), CompositionSet(BCC_A2, [ 0.15224756 0.67887216 0.16888028], NP=0.5994388295197022)])
('reduced_hessian eigenvalues', array([ 4.86600990e+03, 1.66975902e+04, 1.11572511e+13,
3.04388323e+13, 3.56975775e+13]))
('NEW_L_MULTIPLIERS', array([ -3100.16833806, -9906.43646165, 5253.99335921, -15412.52893406,
-41383.28719996, -37639.75669443, -45445.41489597]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -1.25727514e-17, 0.00000000e+00,
0.00000000e+00, 3.45702799e-04, 4.62723158e-04,
-8.08425956e-04]))
('penalty', 10000)
('old_driving_force', -39831.006107979039, 0.00080842595640640003)
('sublsum', -1.8116533767661407)
(1.0, -39847.014463391999, 5.2630495847971748e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61992931 0.33333333 0.04673736], NP=0.41058427423684835), CompositionSet(BCC_A2, [ 0.14509183 0.68387792 0.17103025], NP=0.5894157257631516)])
('step', array([ -2.85722034e-03, 7.80270248e-10, 2.85721956e-03,
2.74475503e-10, -8.36663922e-10, 5.62188432e-10,
-7.15573146e-03, 5.00576224e-03, 2.14996922e-03,
0.00000000e+00, 1.00231038e-02, -1.00231038e-02]))
('conv_angle', 89.86546687510338)
('Site fractions', array([ 9.29893960e-01, 8.17069671e-10, 7.01060394e-02,
2.97384527e-10, 9.99999999e-01, 5.93941686e-10,
1.45091830e-01, 6.83877922e-01, 1.71030248e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.41058427, 0.58941573]))
('Chemical potentials', array([-41383.28719996, -37639.75669443, -45445.41489597]))
('Chem pot progress', array([ -24.83525015, 263.07733388, -571.45753084]))
('Energy progress', -6.086437542449858)
('Driving force', 1.1689771889505209)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61992931 0.33333333 0.04673736], NP=0.41058427423684835), CompositionSet(BCC_A2, [ 0.14509183 0.68387792 0.17103025], NP=0.5894157257631516)])
('reduced_hessian eigenvalues', array([ 5.17945684e+03, 1.65941724e+04, 6.70370866e+11,
1.39483409e+12, 2.54795760e+12]))
('NEW_L_MULTIPLIERS', array([ -3097.18375673, -9899.63537663, 5257.04128616, -15420.65362646,
-41382.54216263, -37635.6038697 , -45456.49195967]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 1.23096885e-17, 0.00000000e+00,
0.00000000e+00, 5.26304958e-05, -5.01732719e-05,
-2.45722397e-06]))
('penalty', 10000)
('old_driving_force', -39847.014321461706, 5.2630495847971748e-05)
('sublsum', -0.0027741985209500733)
(1.0, -39848.066976539383, 7.9211941422796528e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6200983 0.33333334 0.04656836], NP=0.4102109360699265), CompositionSet(BCC_A2, [ 0.14518558 0.68374101 0.17107342], NP=0.5897890639300736)])
('step', array([ 2.53495333e-04, 1.43606137e-08, -2.53509694e-04,
2.71236013e-09, -1.12239486e-08, 8.51158847e-09,
9.37481287e-05, -1.36916600e-04, 4.31684710e-05,
0.00000000e+00, -3.73338167e-04, 3.73338167e-04]))
('conv_angle', 89.993805244937519)
('Site fractions', array([ 9.30147455e-01, 1.51776834e-08, 6.98525297e-02,
3.00974466e-09, 9.99999988e-01, 9.10553016e-09,
1.45185578e-01, 6.83741006e-01, 1.71073417e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.41021094, 0.58978906]))
('Chemical potentials', array([-41382.54216263, -37635.6038697 , -45456.49195967]))
('Chem pot progress', array([ 0.74503733, 4.15282473, -11.0770637 ]))
('Energy progress', 0.17584190421621315)
('Driving force', 0.00089931343973148614)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6200983 0.33333334 0.04656836], NP=0.4102109360699265), CompositionSet(BCC_A2, [ 0.14518558 0.68374101 0.17107342], NP=0.5897890639300736)])
('reduced_hessian eigenvalues', array([ 5.18238935e+03, 1.66157012e+04, 4.64846702e+10,
7.53630027e+10, 2.35455844e+11]))
('NEW_L_MULTIPLIERS', array([ -3097.18699185, -9899.67201204, 5257.0234407 , -15420.61162855,
-41382.57656883, -37635.59737025, -45456.48157447]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -5.97328991e-17, 0.00000000e+00,
0.00000000e+00, -2.80935717e-08, -5.11183698e-08,
7.92119414e-08]))
('penalty', 10000)
('old_driving_force', -39848.066976540838, 7.9211941422796528e-08)
('sublsum', -0.0078414909133364182)
(1.0, -39848.075333472436, 1.5775158956898849e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.62009763 0.33333345 0.04656892], NP=0.4102126462580408), CompositionSet(BCC_A2, [ 0.14518472 0.68374203 0.17107325], NP=0.5897873537419592)])
('step', array([ -1.01751412e-06, 2.22656140e-07, 7.94857978e-07,
2.05099106e-08, -1.26260978e-07, 1.05751067e-07,
-8.62405580e-07, 1.02876659e-06, -1.66361011e-07,
0.00000000e+00, 1.71018811e-06, -1.71018811e-06]))
('conv_angle', 85.427264856508955)
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3.29157732e+05, 2.39445399e+08]))
('NEW_L_MULTIPLIERS', array([ -3206.11180547, -10553.45995933, 4867.37527223, -14306.27034219,
-41738.56587173, -37604.98614335, -45286.87306576]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -6.07153217e-18, -1.11022302e-16,
0.00000000e+00, -6.15050817e-07, 6.60468643e-07,
-4.54178258e-08]))
('penalty', 10000)
('old_driving_force', -39932.216463190482, 6.6046864255486781e-07)
('sublsum', -8.7457624785998829e-06)
(1.0, -39932.22967492442, 1.0060308142101348e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58350699 0.36267996 0.05381304], NP=0.453830404382497), CompositionSet(BCC_A2, [ 0.13766197 0.68734109 0.17499693], NP=0.546169595617503)])
('step', array([ -1.44073374e-05, 1.42326377e-05, 1.74699750e-07,
9.89944810e-11, -3.89531171e-07, 3.89432176e-07,
3.28393250e-06, -4.74510853e-06, 1.46117602e-06,
0.00000000e+00, 7.13310588e-06, -7.13310588e-06]))
('conv_angle', 53.351588819186972)
('Site fractions', array([ 8.75259024e-01, 4.48107483e-02, 7.99302274e-02,
2.93321047e-06, 9.98418390e-01, 1.57867670e-03,
1.37661974e-01, 6.87341092e-01, 1.74996934e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.4538304, 0.5461696]))
('Chemical potentials', array([-41738.56587173, -37604.98614335, -45286.87306576]))
('Chem pot progress', array([ 0.13206315, -0.03235823, 0.01625857]))
('Energy progress', -0.0028951827334822156)
('Driving force', 4.7503199311904609e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58350699 0.36267996 0.05381304], NP=0.453830404382497), CompositionSet(BCC_A2, [ 0.13766197 0.68734109 0.17499693], NP=0.546169595617503)])
('reduced_hessian eigenvalues', array([ 4.05473532e+03, 1.38083659e+04, 3.14912165e+04,
3.29081607e+05, 2.39440514e+08]))
('NEW_L_MULTIPLIERS', array([ -3206.11180112, -10553.46002705, 4867.37524585, -14306.27024599,
-41738.56585011, -37604.98614857, -45286.87306392]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -4.35849273e-17, 8.32667268e-17,
0.00000000e+00, -9.19371246e-11, 1.00603081e-10,
-8.66599847e-12]))
('penalty', 10000)
('old_driving_force', -39932.22967492442, 1.0060308142101348e-10)
('sublsum', -1.5693526747680723e-13)
(1.0, -39932.229676936484, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58350699 0.36267996 0.05381304], NP=0.45383040672969843), CompositionSet(BCC_A2, [ 0.13766197 0.68734109 0.17499693], NP=0.5461695932703017)])
('step', array([ -2.74106692e-09, 1.84573984e-09, 8.95327114e-10,
6.53907628e-14, 1.92679372e-11, -1.93332844e-11,
-2.29308188e-10, 1.83261573e-10, 4.60465319e-11,
0.00000000e+00, 2.34720141e-09, -2.34720133e-09]))
('conv_angle', 74.995607095697324)
('Site fractions', array([ 8.75259022e-01, 4.48107501e-02, 7.99302283e-02,
2.93321054e-06, 9.98418390e-01, 1.57867668e-03,
1.37661974e-01, 6.87341092e-01, 1.74996934e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.45383041, 0.54616959]))
('Chemical potentials', array([-41738.56585011, -37604.98614857, -45286.87306392]))
('Chem pot progress', array([ 2.16233384e-05, -5.22686605e-06, 1.84075907e-06]))
('Energy progress', -4.4661283027380705e-07)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.13766198 0.68734109 0.17499694], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.13766197 0.68734109 0.17499693], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.13766197 0.68734109 0.17499693], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.13766197 0.68734109 0.17499694], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.13766198 0.68734109 0.17499694], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.13766197 0.68734109 0.17499693], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.13766197 0.68734109 0.17499693], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.13766197 0.68734111 0.17499692], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.13766197 0.68734109 0.17499693], NP=1.0), 2.1827872842550278e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.583507 0.36267995 0.05381305], NP=1.0), 1.4551915228366852e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.2667327970004091), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.7332672029995908)])
('reduced_hessian eigenvalues', array([ 4.10117619e+03, 8.36028408e+03, 1.47278102e+14,
4.41631797e+14, 5.69052534e+14]))
('NEW_L_MULTIPLIERS', array([ -2335.15716568, -7249.08614852, 6603.67296766, -17971.80195779,
-41287.03334728, -38281.47798313, -43297.0195517 ]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -2.35496887e-02, 8.44381234e-02,
-6.08884347e-02]))
('penalty', 10000)
('old_driving_force', -38054.723913326998, 0.084438123413534627)
('sublsum', -398.05057840164898)
(1.0, -39899.1195764859, 0.0041609962016562474)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6100905 0.33333333 0.05657617], NP=0.30501845323159227), CompositionSet(BCC_A2, [ 0.16469072 0.6359051 0.19940418], NP=0.6949815467684077)])
('step', array([ 2.62468566e-02, 3.99805709e-11, -2.62468566e-02,
2.49402697e-11, -5.98718124e-11, 3.49317519e-11,
3.24011452e-03, -9.44251115e-02, 9.11849970e-02,
0.00000000e+00, 3.82856562e-02, -3.82856562e-02]))
('conv_angle', 85.554607157028983)
('Site fractions', array([ 9.15135745e-01, 4.09805709e-11, 8.48642545e-02,
2.59402697e-11, 1.00000000e+00, 3.59317519e-11,
1.64690717e-01, 6.35905099e-01, 1.99404184e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.30501845, 0.69498155]))
('Chemical potentials', array([-41287.03334728, -38281.47798313, -43297.0195517 ]))
('Chem pot progress', array([ 105.50522276, -683.89004765, 1571.31212766]))
('Energy progress', -63.718365257183905)
('Driving force', 3.2917428290093085)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6100905 0.33333333 0.05657617], NP=0.30501845323159227), CompositionSet(BCC_A2, [ 0.16469072 0.6359051 0.19940418], NP=0.6949815467684077)])
('reduced_hessian eigenvalues', array([ 3.98098395e+03, 1.09178218e+04, 7.69697134e+12,
2.23594591e+13, 2.44127120e+13]))
('NEW_L_MULTIPLIERS', array([ -2426.27075323, -7599.98462389, 6245.7535527 , -17754.2514415 ,
-41279.14380934, -37949.84667614, -44539.10381376]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 4.98772937e-17, -5.55111512e-17,
0.00000000e+00, 5.45868841e-04, 3.61512736e-03,
-4.16099620e-03]))
('penalty', 10000)
('old_driving_force', -39905.491080446824, 0.0041609962016562474)
('sublsum', -7.1382587480670452)
(1.0, -39988.738471638666, 0.00018948912685917696)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.614595 0.33333333 0.05207167], NP=0.3174545844488112), CompositionSet(BCC_A2, [ 0.15395824 0.63611762 0.20992415], NP=0.6825454155511887)])
('step', array([ 6.75675501e-03, 8.75745001e-10, -6.75675589e-03,
3.16335397e-10, -9.65811260e-10, 6.49475814e-10,
-1.07324801e-02, 2.12516068e-04, 1.05199640e-02,
0.00000000e+00, 1.24361312e-02, -1.24361312e-02]))
('conv_angle', 89.516470236387221)
('Site fractions', array([ 9.21892500e-01, 9.16725572e-10, 7.81074986e-02,
3.42275666e-10, 9.99999999e-01, 6.85407566e-10,
1.53958237e-01, 6.36117616e-01, 2.09924148e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.31745458, 0.68254542]))
('Chemical potentials', array([-41279.14380934, -37949.84667614, -44539.10381376]))
('Chem pot progress', array([ 7.88953794, 331.63130699, -1242.08426205]))
('Energy progress', -28.817451653165335)
('Driving force', 10.388703941956919)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.614595 0.33333333 0.05207167], NP=0.3174545844488112), CompositionSet(BCC_A2, [ 0.15395824 0.63611762 0.20992415], NP=0.6825454155511887)])
('reduced_hessian eigenvalues', array([ 4.55602276e+03, 1.18241378e+04, 4.62647417e+11,
1.03218492e+12, 1.73892004e+12]))
('NEW_L_MULTIPLIERS', array([ -2429.83572239, -7632.43933136, 6218.20339965, -17728.48598475,
-41304.09352453, -37916.63366535, -44539.49835979]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 5.74667090e-17, -5.55111512e-17,
0.00000000e+00, 1.89489127e-04, -2.64287445e-06,
-1.86846252e-04]))
('penalty', 10000)
('old_driving_force', -39988.733729880551, 0.00018948912685917696)
('sublsum', -0.035835015824934272)
(1.0, -39992.522896874325, 9.3510391313555985e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6144346 0.33333334 0.05223206], NP=0.31860054165760004), CompositionSet(BCC_A2, [ 0.15298183 0.63662984 0.21038832], NP=0.6813994583423999)])
('step', array([ -2.40602171e-04, 1.60441468e-08, 2.40586127e-04,
3.13728265e-09, -1.30496586e-08, 9.91237586e-09,
-9.76402872e-04, 5.12227732e-04, 4.64175140e-04,
0.00000000e+00, 1.14595721e-03, -1.14595721e-03]))
('conv_angle', 89.96626983518982)
('Site fractions', array([ 9.21651898e-01, 1.69608723e-08, 7.83480847e-02,
3.47955831e-09, 9.99999986e-01, 1.05977834e-08,
1.52981834e-01, 6.36629843e-01, 2.10388323e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.31860054, 0.68139946]))
('Chemical potentials', array([-41304.09352453, -37916.63366535, -44539.49835979]))
('Chem pot progress', array([-24.9497152 , 33.21301079, -0.39454604]))
('Energy progress', -0.6145192467156448)
('Driving force', -0.011624735619989224)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6144346 0.33333334 0.05223206], NP=0.31860054165760004), CompositionSet(BCC_A2, [ 0.15298183 0.63662984 0.21038832], NP=0.6813994583423999)])
('reduced_hessian eigenvalues', array([ 4.58684304e+03, 1.18550186e+04, 3.20792965e+10,
5.59921306e+10, 1.60515039e+11]))
('NEW_L_MULTIPLIERS', array([ -2429.76709548, -7632.3220362 , 6218.26186757, -17728.61804516,
-41304.13221631, -37916.61533319, -44539.6025328 ]))
('L_CONSTRAINTS', array([ 5.55111512e-17, -5.34925460e-18, -5.55111512e-17,
0.00000000e+00, 9.35103913e-07, -5.86983790e-07,
-3.48120123e-07]))
('penalty', 10000)
('old_driving_force', -39992.522896863651, 9.3510391313555985e-07)
('sublsum', -0.0067512076254692818)
(1.0, -39992.54742418458, 1.2379763880687733e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61443457 0.33333346 0.05223198], NP=0.3185951784680259), CompositionSet(BCC_A2, [ 0.15298411 0.63662826 0.21038763], NP=0.6814048215319739)])
('step', array([ -6.15312512e-08, 2.46281629e-07, -1.84750378e-07,
2.37090946e-08, -1.47400050e-07, 1.23690955e-07,
2.27517953e-06, -1.57955695e-06, -6.95622584e-07,
0.00000000e+00, -5.36318957e-06, 5.36318957e-06]))
('conv_angle', 88.068726858004524)
('Site fractions', array([ 9.21651837e-01, 2.63242501e-07, 7.83479000e-02,
2.71886529e-08, 9.99999839e-01, 1.34288739e-07,
1.52984109e-01, 6.36628264e-01, 2.10387627e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.31859518, 0.68140482]))
('Chemical potentials', array([-41304.13221631, -37916.61533319, -44539.6025328 ]))
('Chem pot progress', array([-0.03869177, 0.01833216, -0.10417301]))
('Energy progress', -0.004963425220921636)
('Driving force', 0.00092563025827985257)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61443457 0.33333346 0.05223198], NP=0.3185951784680259), CompositionSet(BCC_A2, [ 0.15298411 0.63662826 0.21038763], NP=0.6814048215319739)])
('reduced_hessian eigenvalues', array([ 4.58537928e+03, 1.18555276e+04, 2.63681805e+09,
3.61500962e+09, 1.96816672e+10]))
('NEW_L_MULTIPLIERS', array([ -2429.81385049, -7632.707349 , 6218.0914421 , -17728.20724115,
-41304.49921504, -37916.56321506, -44539.49337586]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -1.53934209e-17, 2.77555756e-17,
0.00000000e+00, 1.23797639e-11, -9.08872977e-12,
-3.29133942e-12]))
('penalty', 10000)
('old_driving_force', -39992.547424184573, 1.2379763880687733e-11)
('sublsum', -0.065416297972367102)
(1.0, -39992.602811677665, 9.297629333104851e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61442872 0.33333507 0.05223621], NP=0.31861253756426616), CompositionSet(BCC_A2, [ 0.15297509 0.63663524 0.21038968], NP=0.681387462435734)])
('step', array([ -8.83446652e-06, 3.10083260e-06, 5.73363392e-06,
1.29372231e-07, -1.35580590e-06, 1.22643367e-06,
-9.02209953e-06, 6.97134837e-06, 2.05075116e-06,
0.00000000e+00, 1.73590962e-05, -1.73590962e-05]))
('conv_angle', 83.540103920740265)
('Site fractions', array([ 9.21643002e-01, 3.36407511e-06, 7.83536336e-02,
1.56560884e-07, 9.99998483e-01, 1.36072241e-06,
1.52975087e-01, 6.36635235e-01, 2.10389678e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.31861254, 0.68138746]))
('Chemical potentials', array([-41304.49921504, -37916.56321506, -44539.49337586]))
('Chem pot progress', array([-0.36699873, 0.05211813, 0.10915695]))
('Energy progress', -0.05538952234201133)
('Driving force', 0.010027243377408013)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61442872 0.33333507 0.05223621], NP=0.31861253756426616), CompositionSet(BCC_A2, [ 0.15297509 0.63663524 0.21038968], NP=0.681387462435734)])
('reduced_hessian eigenvalues', array([ 4.58488065e+03, 1.18562095e+04, 2.62701976e+08,
2.87733421e+08, 3.32906420e+09]))
('NEW_L_MULTIPLIERS', array([ -2430.18329057, -7635.63277762, 6216.7850245 , -17725.0358691 ,
-41307.24065258, -37916.17811901, -44538.66536947]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 2.82580779e-17, 2.77555756e-17,
0.00000000e+00, 5.51252377e-11, -9.29762933e-11,
3.78512499e-11]))
('penalty', 10000)
('old_driving_force', -39992.602811677505, 9.297629333104851e-11)
('sublsum', -0.49202141062092375)
(1.0, -39993.009232803728, 4.5194836761908164e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61437909 0.33335253 0.05226838], NP=0.3187461193557279), CompositionSet(BCC_A2, [ 0.15290783 0.63668653 0.21040564], NP=0.6812538806442722)])
('step', array([ -7.46796853e-05, 3.10686133e-05, 4.36110720e-05,
4.71057805e-07, -9.75112244e-06, 9.28006464e-06,
-6.72587913e-05, 5.12951163e-05, 1.59636749e-05,
0.00000000e+00, 1.33581791e-04, -1.33581791e-04]))
('conv_angle', 81.895432391403943)
('Site fractions', array([ 9.21568323e-01, 3.44326884e-05, 7.83972447e-02,
6.27618688e-07, 9.99988732e-01, 1.06407870e-05,
1.52907828e-01, 6.36686530e-01, 2.10405642e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.31874612, 0.68125388]))
('Chemical potentials', array([-41307.24065258, -37916.17811901, -44538.66536947]))
('Chem pot progress', array([-2.74143753, 0.38509605, 0.82800638]))
('Energy progress', -0.4065315390980686)
('Driving force', 0.085515958955511451)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61437909 0.33335253 0.05226838], NP=0.3187461193557279), CompositionSet(BCC_A2, [ 0.15290783 0.63668653 0.21040564], NP=0.6812538806442722)])
('reduced_hessian eigenvalues', array([ 4.57534273e+03, 1.18574712e+04, 2.73371166e+07,
3.51108270e+07, 8.17947703e+08]))
('NEW_L_MULTIPLIERS', array([ -2432.35781561, -7652.04430818, 6209.34141959, -17706.77525795,
-41322.2531542 , -37914.1055332 , -44534.02750344]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 9.52098914e-17, 2.77555756e-17,
0.00000000e+00, 2.35496067e-09, -4.51948368e-09,
2.16452301e-09]))
('penalty', 10000)
('old_driving_force', -39993.009232769044, 4.5194836761908164e-09)
('sublsum', -2.7278060308468137)
(1.0, -39995.189967836435, 1.0159849861413051e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61405605 0.33349424 0.05244971], NP=0.3195114284486112), CompositionSet(BCC_A2, [ 0.15254056 0.63696099 0.21049844], NP=0.6804885715513889)])
('step', array([ -4.85074886e-04, 2.38480894e-04, 2.46593991e-04,
1.01900081e-06, -5.18347136e-05, 5.08157128e-05,
-3.67266338e-04, 2.74463882e-04, 9.28024561e-05,
0.00000000e+00, 7.65309093e-04, -7.65309093e-04]))
('conv_angle', 79.506197788743464)
('Site fractions', array([ 9.21083248e-01, 2.72913583e-04, 7.86438387e-02,
1.64661950e-06, 9.99936897e-01, 6.14564998e-05,
1.52540562e-01, 6.36960994e-01, 2.10498444e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.31951143, 0.68048857]))
('Chemical potentials', array([-41322.2531542 , -37914.1055332 , -44534.02750344]))
('Chem pot progress', array([-15.01250162, 2.0725858 , 4.63786603]))
('Energy progress', -2.183218167287123)
('Driving force', 0.54533493309281766)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61405605 0.33349424 0.05244971], NP=0.3195114284486112), CompositionSet(BCC_A2, [ 0.15254056 0.63696099 0.21049844], NP=0.6804885715513889)])
('reduced_hessian eigenvalues', array([ 4.53495077e+03, 1.18661918e+04, 3.46702202e+06,
6.12347568e+06, 3.09847225e+08]))
('NEW_L_MULTIPLIERS', array([ -2441.32873589, -7715.73551921, 6179.67373631, -17632.82557297,
-41378.30640732, -37906.61690637, -44516.08340635]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 6.54722587e-17, -8.32667268e-17,
0.00000000e+00, 3.38440707e-08, -1.01598499e-07,
6.77544281e-08]))
('penalty', 10000)
('old_driving_force', -39995.189966394326, 1.0159849861413051e-07)
('sublsum', -10.441118389359639)
(1.0, -40003.181903145123, 1.0270865243577898e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61251397 0.33432301 0.05316302], NP=0.3225874062907006), CompositionSet(BCC_A2, [ 0.1511784 0.63794375 0.21087784], NP=0.6774125937092993)])
('step', array([ -2.31366259e-03, 1.33765769e-03, 9.76004898e-04,
1.09434672e-06, -1.89001520e-04, 1.87907173e-04,
-1.36215961e-03, 9.82759646e-04, 3.79399960e-04,
0.00000000e+00, 3.07597784e-03, -3.07597784e-03]))
('conv_angle', 75.910909117860044)
('Site fractions', array([ 9.18769585e-01, 1.61057127e-03, 7.96198436e-02,
2.74096622e-06, 9.99747895e-01, 2.49363673e-04,
1.51178402e-01, 6.37943754e-01, 2.10877844e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.32258741, 0.67741259]))
('Chemical potentials', array([-41378.30640732, -37906.61690637, -44516.08340635]))
('Chem pot progress', array([-56.05325312, 7.48862683, 17.94409709]))
('Energy progress', -8.014748380082892)
('Driving force', 2.435951775063586)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61251397 0.33432301 0.05316302], NP=0.3225874062907006), CompositionSet(BCC_A2, [ 0.1511784 0.63794375 0.21087784], NP=0.6774125937092993)])
('reduced_hessian eigenvalues', array([ 4.43385806e+03, 1.18877924e+04, 5.92755788e+05,
1.52743539e+06, 1.87096006e+08]))
('NEW_L_MULTIPLIERS', array([ -2465.1901975 , -7872.04936672, 6103.12842152, -17436.65388986,
-41506.44838675, -37890.65525097, -44472.7147883 ]))
('L_CONSTRAINTS', array([ 5.55111512e-17, -8.75493254e-17, -2.77555756e-17,
0.00000000e+00, -5.53421748e-07, -4.73664777e-07,
1.02708652e-06]))
('penalty', 10000)
('old_driving_force', -40003.182011044533, 1.0270865243577898e-06)
('sublsum', -25.258123269560386)
(1.0, -40021.179174294186, 1.6577969450648489e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60740499 0.33761445 0.05498056], NP=0.33063995737265106), CompositionSet(BCC_A2, [ 0.14812815 0.63998626 0.21188559], NP=0.6693600426273488)])
('step', array([ -7.66369237e-03, 5.15305107e-03, 2.51064130e-03,
4.46337990e-07, -4.31795437e-04, 4.31349099e-04,
-3.05025680e-03, 2.04250636e-03, 1.00775045e-03,
0.00000000e+00, 8.05255108e-03, -8.05255108e-03]))
('conv_angle', 70.511082681746387)
('Site fractions', array([ 9.11105893e-01, 6.76362235e-03, 8.21304849e-02,
3.18730422e-06, 9.99316100e-01, 6.80712772e-04,
1.48128145e-01, 6.39986260e-01, 2.11885595e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.33063996, 0.66936004]))
('Chemical potentials', array([-41506.44838675, -37890.65525097, -44472.7147883 ]))
('Chem pot progress', array([-128.14197943, 15.9616554 , 43.36861804]))
('Energy progress', -18.28640008668299)
('Driving force', 7.011983995551418)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60740499 0.33761445 0.05498056], NP=0.33063995737265106), CompositionSet(BCC_A2, [ 0.14812815 0.63998626 0.21188559], NP=0.6693600426273488)])
('reduced_hessian eigenvalues', array([ 4.25054429e+03, 1.18792998e+04, 1.44848512e+05,
5.73296074e+05, 1.64462500e+08]))
('NEW_L_MULTIPLIERS', array([ -2503.19724878, -8085.98324112, 5987.08032972, -17123.91397155,
-41651.30199095, -37876.30014787, -44415.882 ]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 3.62123526e-17, 5.55111512e-17,
0.00000000e+00, -1.65779695e-05, 1.00570663e-05,
6.52090315e-06]))
('penalty', 10000)
('old_driving_force', -40021.182090644143, 1.6577969450648489e-05)
('sublsum', -33.342658081667672)
(1.0, -40041.940466638887, 9.3510190114332037e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59667137 0.34564698 0.05768165], NP=0.3431713753205334), CompositionSet(BCC_A2, [ 0.14485659 0.6416643 0.21347911], NP=0.6568286246794666)])
('step', array([ -1.61004755e-02, 1.23352202e-02, 3.76525527e-03,
1.00628649e-07, -5.72854080e-04, 5.72753451e-04,
-3.27155700e-03, 1.67804385e-03, 1.59351315e-03,
0.00000000e+00, 1.25314179e-02, -1.25314179e-02]))
('conv_angle', 63.697637775114572)
('Site fractions', array([ 8.95005417e-01, 1.90988426e-02, 8.58957402e-02,
3.28793286e-06, 9.98743246e-01, 1.25346622e-03,
1.44856588e-01, 6.41664304e-01, 2.13479108e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.34317138, 0.65682862]))
('Chemical potentials', array([-41651.30199095, -37876.30014787, -44415.882 ]))
('Chem pot progress', array([-144.8536042, 14.3551031, 56.8327883]))
('Energy progress', -22.05472317040403)
('Driving force', 11.323126693278027)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59667137 0.34564698 0.05768165], NP=0.3431713753205334), CompositionSet(BCC_A2, [ 0.14485659 0.6416643 0.21347911], NP=0.6568286246794666)])
('reduced_hessian eigenvalues', array([ 3.99772390e+03, 1.16586664e+04, 5.42600294e+04,
3.22430237e+05, 1.65062253e+08]))
('NEW_L_MULTIPLIERS', array([ -2538.75687891, -8222.57187613, 5896.53191635, -16857.92824699,
-41686.74388345, -37879.68432721, -44383.03795172]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -7.15573434e-18, 5.55111512e-17,
0.00000000e+00, -9.35101901e-05, 7.96307068e-05,
1.38794833e-05]))
('penalty', 10000)
('old_driving_force', -40041.943967190819, 9.3510190114332037e-05)
('sublsum', -18.174111488587748)
(1.0, -40052.343685581836, 0.00011732816413262404)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58461516 0.35575947 0.05962538], NP=0.35342087978157216), CompositionSet(BCC_A2, [ 0.14424757 0.64087884 0.21487359], NP=0.6465791202184279)])
('step', array([ -1.80843741e-02, 1.53937327e-02, 2.69064137e-03,
9.27976884e-08, -4.49995225e-04, 4.49902427e-04,
-6.09014877e-04, -7.85466555e-04, 1.39448143e-03,
0.00000000e+00, 1.02495045e-02, -1.02495045e-02]))
('conv_angle', 57.884158015900141)
('Site fractions', array([ 8.76921043e-01, 3.44925753e-02, 8.85863815e-02,
3.38073055e-06, 9.98293251e-01, 1.70336865e-03,
1.44247574e-01, 6.40878837e-01, 2.14873589e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.35342088, 0.64657912]))
('Chemical potentials', array([-41686.74388345, -37879.68432721, -44383.03795172]))
('Chem pot progress', array([-35.44189251, -3.38417934, 32.84404829]))
('Energy progress', -10.731748926678847)
('Driving force', 7.6485251380654518)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58461516 0.35575947 0.05962538], NP=0.35342087978157216), CompositionSet(BCC_A2, [ 0.14424757 0.64087884 0.21487359], NP=0.6465791202184279)])
('reduced_hessian eigenvalues', array([ 3.75765848e+03, 1.10824245e+04, 3.24473869e+04,
2.43844417e+05, 1.64997192e+08]))
('NEW_L_MULTIPLIERS', array([ -2554.93703573, -8252.31686584, 5868.08141041, -16763.7321918 ,
-41656.91550597, -37888.34377179, -44377.40039032]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -8.97719399e-17, -2.77555756e-17,
0.00000000e+00, -1.17328164e-04, 1.11698655e-04,
5.62950917e-06]))
('penalty', 10000)
('old_driving_force', -40052.33925036146, 0.00011732816413262404)
('sublsum', -2.4078338237529233)
(1.0, -40055.53589793307, 2.1645847725348943e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.579215 0.36068287 0.06010213], NP=0.35687684778835493), CompositionSet(BCC_A2, [ 0.145027 0.63953891 0.21543409], NP=0.6431231522116451)])
('step', array([ -8.10025461e-03, 7.48114590e-03, 6.19108711e-04,
4.57844290e-08, -1.92093725e-04, 1.92047941e-04,
7.79423924e-04, -1.33992475e-03, 5.60500825e-04,
0.00000000e+00, 3.45596801e-03, -3.45596801e-03]))
('conv_angle', 53.432374986014977)
('Site fractions', array([ 8.68820789e-01, 4.19737212e-02, 8.92054902e-02,
3.42651498e-06, 9.98101157e-01, 1.89541659e-03,
1.45026997e-01, 6.39538913e-01, 2.15434090e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.35687685, 0.64312315]))
('Chemical potentials', array([-41656.91550597, -37888.34377179, -44377.40039032]))
('Chem pot progress', array([ 29.82837748, -8.65944459, 5.6375614 ]))
('Energy progress', -1.6062693433341337)
('Driving force', 1.1955361230429844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.579215 0.36068287 0.06010213], NP=0.35687684778835493), CompositionSet(BCC_A2, [ 0.145027 0.63953891 0.21543409], NP=0.6431231522116451)])
('reduced_hessian eigenvalues', array([ 3.65607791e+03, 1.06754652e+04, 2.78411107e+04,
2.21116244e+05, 1.64262329e+08]))
('NEW_L_MULTIPLIERS', array([ -2556.75781107, -8253.11567696, 5865.95784368, -16755.54148088,
-41650.25903407, -37889.85374633, -44377.48708402]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 7.63278329e-17, -5.55111512e-17,
0.00000000e+00, -2.13564253e-05, 2.16458477e-05,
-2.89422473e-07]))
('penalty', 10000)
('old_driving_force', -40055.535723115034, 2.1645847725348943e-05)
('sublsum', -0.0272341001886077)
(1.0, -40055.977829045594, 2.2609146843599603e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57862475 0.36125203 0.06012322], NP=0.35716109310689975), CompositionSet(BCC_A2, [ 0.14519584 0.63931267 0.21549149], NP=0.6428389068931002)])
('step', array([ -8.85373324e-04, 8.65799821e-04, 1.95735030e-05,
5.27163694e-09, -2.41075301e-05, 2.41022584e-05,
1.68841770e-04, -2.26245610e-04, 5.74038395e-05,
0.00000000e+00, 2.84245319e-04, -2.84245319e-04]))
('conv_angle', 49.95003845380166)
('Site fractions', array([ 8.67935415e-01, 4.28395210e-02, 8.92250637e-02,
3.43178662e-06, 9.98077049e-01, 1.91951885e-03,
1.45195839e-01, 6.39312667e-01, 2.15491494e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.35716109, 0.64283891]))
('Chemical potentials', array([-41650.25903407, -37889.85374633, -44377.48708402]))
('Chem pot progress', array([ 6.6564719 , -1.50997454, -0.0866937 ]))
('Energy progress', -0.0950189352806774)
('Driving force', 0.0143158075370593)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57862475 0.36125203 0.06012322], NP=0.35716109310689975), CompositionSet(BCC_A2, [ 0.14519584 0.63931267 0.21549149], NP=0.6428389068931002)])
('reduced_hessian eigenvalues', array([ 3.64548569e+03, 1.06215069e+04, 2.74235749e+04,
2.18499912e+05, 1.64129296e+08]))
('NEW_L_MULTIPLIERS', array([ -2556.77581672, -8253.10586336, 5865.94207645, -16755.47094618,
-41650.17521772, -37889.87308942, -44377.48950221]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 1.01264483e-16, 2.77555756e-17,
0.00000000e+00, -2.15767465e-07, 2.26091468e-07,
-1.03240035e-08]))
('penalty', 10000)
('old_driving_force', -40055.977829023162, 2.2609146843599603e-07)
('sublsum', -3.0266789234898257e-06)
(1.0, -40055.982351955536, 2.0529800082158545e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57861864 0.36125802 0.06012334], NP=0.3571634665258408), CompositionSet(BCC_A2, [ 0.14519797 0.63931001 0.21549202], NP=0.6428365334741593)])
('step', array([ -9.17188787e-06, 9.14057783e-06, 3.13100349e-08,
8.67299103e-11, -2.98121824e-07, 2.98035094e-07,
2.13263861e-06, -2.65553896e-06, 5.22900347e-07,
0.00000000e+00, 2.37341894e-06, -2.37341894e-06]))
('conv_angle', 49.31440961568331)
('Site fractions', array([ 8.67926243e-01, 4.28486616e-02, 8.92250951e-02,
3.43187335e-06, 9.98076751e-01, 1.91981689e-03,
1.45197972e-01, 6.39310011e-01, 2.15492017e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.35716347, 0.64283653]))
('Chemical potentials', array([-41650.17521772, -37889.87308942, -44377.48950221]))
('Chem pot progress', array([ 0.08381634, -0.01934309, -0.00241819]))
('Energy progress', -0.0008797628324828111)
('Driving force', 1.5905461623333395e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57861864 0.36125802 0.06012334], NP=0.3571634665258408), CompositionSet(BCC_A2, [ 0.14519797 0.63931001 0.21549202], NP=0.6428365334741593)])
('reduced_hessian eigenvalues', array([ 3.64453396e+03, 1.06184813e+04, 2.74174281e+04,
2.18466363e+05, 1.64126134e+08]))
('NEW_L_MULTIPLIERS', array([ -2556.77580229, -8253.10585468, 5865.94208978, -16755.47094438,
-41650.17520997, -37889.87308659, -44377.48951635]))
('L_CONSTRAINTS', array([ 1.38777878e-17, -9.75781955e-18, 0.00000000e+00,
0.00000000e+00, -1.95740091e-11, 2.05298001e-11,
-9.55707735e-13]))
('penalty', 10000)
('old_driving_force', -40055.982351955536, 2.0529800082158545e-11)
('sublsum', -1.4280386286340153e-13)
(1.0, -40055.982352366111, 5.3342746886286818e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57861864 0.36125803 0.06012334], NP=0.3571634662972049), CompositionSet(BCC_A2, [ 0.14519797 0.63931001 0.21549202], NP=0.642836533702795)])
('step', array([ -1.80033008e-09, 1.86210201e-09, -6.17719452e-11,
-8.88931401e-14, -5.13339151e-11, 5.14228180e-11,
8.51468231e-10, -8.11052363e-10, -4.04158678e-11,
0.00000000e+00, -2.28635905e-10, 2.28635824e-10]))
('conv_angle', 52.133218897464516)
('Site fractions', array([ 8.67926242e-01, 4.28486635e-02, 8.92250950e-02,
3.43187326e-06, 9.98076751e-01, 1.91981694e-03,
1.45197973e-01, 6.39310011e-01, 2.15492017e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.35716347, 0.64283653]))
('Chemical potentials', array([-41650.17520997, -37889.87308659, -44377.48951635]))
('Chem pot progress', array([ 7.75284570e-06, 2.83024565e-06, -1.41476849e-05]))
('Energy progress', -7.978087523952127e-08)
('Driving force', 7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.14519797 0.63931001 0.21549202], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14519797 0.63931004 0.215492 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14519798 0.63930999 0.21549203], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14519797 0.63931001 0.21549201], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14519796 0.6393101 0.21549194], NP=1.0), -8.003553375601768e-11), (CompositionSet(BCC_A2, [ 0.14519797 0.63931 0.21549202], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14519797 0.63931001 0.21549202], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14519797 0.63931001 0.21549201], NP=1.0), -1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57861865 0.36125802 0.06012333], NP=1.0), -2.1827872842550278e-11), (CompositionSet(LAVES_C15, [ 0.57861865 0.36125802 0.06012333], NP=1.0), -2.1827872842550278e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.30154944094128766), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.6984505590587123)])
('reduced_hessian eigenvalues', array([ 4.11629223e+03, 9.65523889e+03, 1.65696955e+14,
4.96912032e+14, 6.32380607e+14]))
('NEW_L_MULTIPLIERS', array([ -2394.62854112, -7715.36800535, 6155.01759862, -17806.92483651,
-41400.60881659, -37752.64967528, -45455.18113454]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -8.53877155e-03, 3.06160245e-02,
-2.20772529e-02]))
('penalty', 10000)
('old_driving_force', -39004.519445366364, 0.030616024478459014)
('sublsum', -146.22404613173612)
(1.0, -39664.210400698801, 0.0014622959786196599)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6282457 0.33333333 0.03842097], NP=0.31905967733759694), CompositionSet(BCC_A2, [ 0.14747424 0.69644876 0.156077 ], NP=0.680940322662403)])
('step', array([ 5.34796619e-02, 3.70530568e-11, -5.34796619e-02,
2.24894728e-11, -5.40891386e-11, 3.15998590e-11,
-1.39763671e-02, -3.38814466e-02, 4.78578136e-02,
0.00000000e+00, 1.75102364e-02, -1.75102364e-02]))
('conv_angle', 87.894813477579888)
('Site fractions', array([ 9.42368551e-01, 3.80530568e-11, 5.76314492e-02,
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('conv_angle', 82.43832727939926)
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('old_driving_force', -39695.549833272235, 4.2799097599299785e-13)
('sublsum', -0.0631534057827286)
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('conv_angle', 82.632630599006347)
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('old_driving_force', -39695.603362779715, 7.3418826573856677e-11)
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('conv_angle', 80.8180550823826)
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('reduced_hessian eigenvalues', array([ 5.24130292e+03, 1.44193855e+04, 2.95159413e+07,
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('old_driving_force', -39696.001964762705, 3.745702081836555e-09)
('sublsum', -2.7184032136128913)
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('conv_angle', 62.424952442631749)
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('NEW_L_MULTIPLIERS', array([ -2553.17499125, -8496.13237411, 5632.61441541, -16765.98182015,
-41805.19530797, -37487.12420466, -45724.32927646]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -4.31512465e-17, 0.00000000e+00,
0.00000000e+00, -8.78356025e-05, 7.04307621e-05,
1.74048404e-05]))
('penalty', 10000)
('old_driving_force', -39747.976466978434, 8.7835602542718494e-05)
('sublsum', -20.89478282307191)
(1.0, -39759.802798517521, 0.00012662064501811621)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59279536 0.35676015 0.05044449], NP=0.3615245512881994), CompositionSet(BCC_A2, [ 0.13401189 0.70658795 0.15940016], NP=0.6384754487118006)])
('step', array([ -1.89374885e-02, 1.64507215e-02, 2.48676704e-03,
6.12407152e-08, -3.27187635e-04, 3.27126394e-04,
-8.13464284e-04, -1.95530997e-05, 8.33017383e-04,
0.00000000e+00, 1.07201086e-02, -1.07201086e-02]))
('conv_angle', 57.385862124299059)
('Site fractions', array([ 8.89191689e-01, 3.57757703e-02, 7.50325412e-02,
2.70252893e-06, 9.98728903e-01, 1.26839474e-03,
1.34011892e-01, 7.06587948e-01, 1.59400160e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.36152455, 0.63847545]))
('Chemical potentials', array([-41805.19530797, -37487.12420466, -45724.32927646]))
('Chem pot progress', array([-45.65122395, 0.87244623, 33.13276142]))
('Energy progress', -12.373652735484939)
('Driving force', 8.6749328493606299)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59279536 0.35676015 0.05044449], NP=0.3615245512881994), CompositionSet(BCC_A2, [ 0.13401189 0.70658795 0.15940016], NP=0.6384754487118006)])
('reduced_hessian eigenvalues', array([ 4.27103775e+03, 1.28032377e+04, 3.35435255e+04,
3.34624193e+05, 2.10938591e+08]))
('NEW_L_MULTIPLIERS', array([ -2571.43171321, -8535.15121644, 5598.27335983, -16651.90260144,
-41775.74495988, -37494.51364566, -45716.54174494]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -6.50521303e-19, -2.77555756e-17,
0.00000000e+00, -1.26620645e-04, 1.16609463e-04,
1.00111818e-05]))
('penalty', 10000)
('old_driving_force', -39759.798285779099, 0.00012662064501811621)
('sublsum', -3.09939225395736)
(1.0, -39763.417161033234, 2.8754307883849251e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58661586 0.36244409 0.05094005], NP=0.3657107802701893), CompositionSet(BCC_A2, [ 0.13470117 0.70548057 0.15981826], NP=0.6342892197298106)])
('step', array([ -9.26927229e-03, 8.60209721e-03, 6.67175078e-04,
3.63280731e-08, -1.52357449e-04, 1.52321121e-04,
6.89282501e-04, -1.10738180e-03, 4.18099297e-04,
0.00000000e+00, 4.18622898e-03, -4.18622898e-03]))
('conv_angle', 54.117099019637251)
('Site fractions', array([ 8.79922416e-01, 4.43778675e-02, 7.56997163e-02,
2.73885701e-06, 9.98576545e-01, 1.42071586e-03,
1.34701175e-01, 7.05480566e-01, 1.59818259e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.36571078, 0.63428922]))
('Chemical potentials', array([-41775.74495988, -37494.51364566, -45716.54174494]))
('Chem pot progress', array([ 29.45034809, -7.38944101, 7.78753152]))
('Energy progress', -2.0008907626906876)
('Driving force', 1.5341646508604754)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58661586 0.36244409 0.05094005], NP=0.3657107802701893), CompositionSet(BCC_A2, [ 0.13470117 0.70548057 0.15981826], NP=0.6342892197298106)])
('reduced_hessian eigenvalues', array([ 4.12104388e+03, 1.21075680e+04, 2.89524125e+04,
3.01937445e+05, 2.10360622e+08]))
('NEW_L_MULTIPLIERS', array([ -2574.03532381, -8537.43749335, 5594.98185407, -16639.7149431 ,
-41767.78251231, -37496.13298229, -45716.20372889]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 5.31259065e-17, -2.77555756e-17,
0.00000000e+00, -2.87543079e-05, 2.84300518e-05,
3.24256067e-07]))
('penalty', 10000)
('old_driving_force', -39763.416886150349, 2.8754307883849251e-05)
('sublsum', -0.042818564600176551)
(1.0, -39764.005232724361, 4.1630547542581553e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58585238 0.3631792 0.05096842], NP=0.36613899637036823), CompositionSet(BCC_A2, [ 0.13488161 0.70524349 0.1598749 ], NP=0.6338610036296318)])
('step', array([ -1.14522113e-03, 1.11374272e-03, 3.14784043e-05,
5.27057819e-09, -2.21540668e-05, 2.21487962e-05,
1.80437662e-04, -2.37075022e-04, 5.66373607e-05,
0.00000000e+00, 4.28216100e-04, -4.28216100e-04]))
('conv_angle', 51.237753959695183)
('Site fractions', array([ 8.78777195e-01, 4.54916102e-02, 7.57311947e-02,
2.74412758e-06, 9.98554391e-01, 1.44286465e-03,
1.34881612e-01, 7.05243491e-01, 1.59874897e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.366139, 0.633861]))
('Chemical potentials', array([-41767.78251231, -37496.13298229, -45716.20372889]))
('Chem pot progress', array([ 7.96244757, -1.61933663, 0.33801606]))
('Energy progress', -0.1399233364209067)
('Driving force', 0.022772054580855183)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58585238 0.3631792 0.05096842], NP=0.36613899637036823), CompositionSet(BCC_A2, [ 0.13488161 0.70524349 0.1598749 ], NP=0.6338610036296318)])
('reduced_hessian eigenvalues', array([ 4.10190642e+03, 1.20077921e+04, 2.85114675e+04,
2.97624775e+05, 2.10181213e+08]))
('NEW_L_MULTIPLIERS', array([ -2574.06754301, -8537.45216726, 5594.9496048 , -16639.58115699,
-41767.65817699, -37496.15794252, -45716.20421812]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -9.64939934e-17, 8.32667268e-17,
0.00000000e+00, -4.04200309e-07, 4.16305475e-07,
-1.21051663e-08]))
('penalty', 10000)
('old_driving_force', -39764.005232663723, 4.1630547542581553e-07)
('sublsum', -6.9297594342099178e-06)
(1.0, -39764.013561061998, 5.8827942517325482e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58584287 0.36318857 0.05096857], NP=0.36614352569587366), CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=0.6338564743041264)])
('step', array([ -1.42693463e-05, 1.42094576e-05, 5.98886704e-08,
5.37972836e-11, -3.21680910e-07, 3.21627113e-07,
2.91016972e-06, -3.62248087e-06, 7.12311154e-07,
0.00000000e+00, 4.52932551e-06, -4.52932551e-06]))
('conv_angle', 49.816426919686869)
('Site fractions', array([ 8.78762926e-01, 4.55058197e-02, 7.57312546e-02,
2.74418138e-06, 9.98554070e-01, 1.44318628e-03,
1.34884522e-01, 7.05239869e-01, 1.59875609e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.36614353, 0.63385647]))
('Chemical potentials', array([-41767.65817699, -37496.15794252, -45716.20421812]))
('Chem pot progress', array([ 0.12433532, -0.02496023, -0.00048924]))
('Energy progress', -0.0018292506792931817)
('Driving force', 3.6967467167414725e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58584287 0.36318857 0.05096857], NP=0.36614352569587366), CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=0.6338564743041264)])
('reduced_hessian eigenvalues', array([ 4.10198789e+03, 1.20072444e+04, 2.85051882e+04,
2.97561850e+05, 2.10179449e+08]))
('NEW_L_MULTIPLIERS', array([ -2574.06755469, -8537.45221361, 5594.949567 , -16639.58106576,
-41767.65815302, -37496.1579604 , -45716.20416086]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 4.33680869e-17, -2.77555756e-17,
0.00000000e+00, -5.62680458e-11, 5.88279425e-11,
-2.55988286e-12]))
('penalty', 10000)
('old_driving_force', -39764.013561061998, 5.8827942517325482e-11)
('sublsum', -2.8241489154673295e-13)
(1.0, -39764.013562238557, 7.6978354246470815e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58584286 0.36318857 0.05096857], NP=0.3661435284525834), CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=0.6338564715474166)])
('step', array([ -3.54910281e-09, 2.87119980e-09, 6.77903054e-10,
1.13940727e-15, -7.23492328e-11, 7.23480501e-11,
-5.05749604e-10, 3.03050964e-10, 2.02698667e-10,
0.00000000e+00, 2.75670973e-09, -2.75670976e-09]))
('conv_angle', 70.184118178719217)
('Site fractions', array([ 8.78762922e-01, 4.55058225e-02, 7.57312553e-02,
2.74418138e-06, 9.98554069e-01, 1.44318635e-03,
1.34884522e-01, 7.05239869e-01, 1.59875609e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.36614353, 0.63385647]))
('Chemical potentials', array([-41767.65815302, -37496.1579604 , -45716.20416086]))
('Chem pot progress', array([ 2.39710498e-05, -1.78734263e-05, 5.72668723e-05]))
('Energy progress', -2.613887772895396e-07)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=1.0), 4.3655745685100555e-11), (CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=1.0), 2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.13488449 0.70523993 0.15987558], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.13488452 0.70523987 0.15987561], NP=1.0), 2.1827872842550278e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.58584287 0.36318856 0.05096857], NP=1.0), -5.093170329928398e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.17671330772201133), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.8232866922779887)])
('reduced_hessian eigenvalues', array([ 3.92017766e+03, 5.32083795e+03, 9.83516997e+13,
2.94974921e+14, 3.88347298e+14]))
('NEW_L_MULTIPLIERS', array([ -1686.51801219, -5309.46670019, 7284.94121722, -20187.46165167,
-41341.92933446, -38119.40430541, -43926.55418885]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -2.23608705e-02, 8.01755796e-02,
-5.78147091e-02]))
('penalty', 10000)
('old_driving_force', -38046.665319671098, 0.08017557958546917)
('sublsum', -333.64525321337874)
(1.0, -39751.25545198589, 0.0047275416900916245)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61905853 0.33333333 0.04760814], NP=0.22206068954144614), CompositionSet(BCC_A2, [ 0.15918265 0.6548124 0.18600495], NP=0.7779393104585538)])
('step', array([ 3.96989062e-02, 4.39721679e-11, -3.96989063e-02,
2.71727933e-11, -6.52749330e-11, 3.81023416e-11,
-2.26795033e-03, -7.55178131e-02, 7.77857635e-02,
0.00000000e+00, 4.53473818e-02, -4.53473818e-02]))
('conv_angle', 83.950488111734529)
('Site fractions', array([ 9.28587795e-01, 4.49721679e-11, 7.14122048e-02,
2.81727933e-11, 1.00000000e+00, 3.91023416e-11,
1.59182652e-01, 6.54812398e-01, 1.86004950e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.22206069, 0.77793931]))
('Chemical potentials', array([-41341.92933446, -38119.40430541, -43926.55418885]))
('Chem pot progress', array([ 50.60923558, -521.81636993, 941.77749052]))
('Energy progress', -74.957614451683185)
('Driving force', 40.598508524199133)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61905853 0.33333333 0.04760814], NP=0.22206068954144614), CompositionSet(BCC_A2, [ 0.15918265 0.6548124 0.18600495], NP=0.7779393104585538)])
('reduced_hessian eigenvalues', array([ 4.08075589e+03, 9.37233562e+03, 5.21324291e+12,
1.54354348e+13, 1.65000203e+13]))
('NEW_L_MULTIPLIERS', array([ -1795.27603715, -5672.84087241, 6913.82588338, -19908.01997453,
-41334.46133466, -37819.52728817, -44875.24393484]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 6.46224433e-17, -5.55111512e-17,
0.00000000e+00, 1.30300658e-03, 3.42453511e-03,
-4.72754169e-03]))
('penalty', 10000)
('old_driving_force', -39756.777092537341, 0.0047275416900916245)
('sublsum', -5.0590284697097134)
(1.0, -39852.159564584283, 8.8846305746403953e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61607936 0.33333333 0.05058731], NP=0.23627729891246751), CompositionSet(BCC_A2, [ 0.14995401 0.65628527 0.19376072], NP=0.7637227010875324)])
('step', array([ -4.46875843e-03, 9.79110368e-10, 4.46875745e-03,
3.47116895e-10, -1.06300569e-09, 7.15888730e-10,
-9.22864442e-03, 1.47287467e-03, 7.75576975e-03,
0.00000000e+00, 1.42166094e-02, -1.42166094e-02]))
('conv_angle', 89.510479700663709)
('Site fractions', array([ 9.24119037e-01, 1.02408254e-09, 7.58809623e-02,
3.75289689e-10, 9.99999999e-01, 7.54991072e-10,
1.49954008e-01, 6.56285273e-01, 1.93760720e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.2362773, 0.7637227]))
('Chemical potentials', array([-41334.46133466, -37819.52728817, -44875.24393484]))
('Chem pot progress', array([ 7.4679998 , 299.87701724, -948.68974599]))
('Energy progress', -31.217932930499956)
('Driving force', 8.3883130244139466)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61607936 0.33333333 0.05058731], NP=0.23627729891246751), CompositionSet(BCC_A2, [ 0.14995401 0.65628527 0.19376072], NP=0.7637227010875324)])
('reduced_hessian eigenvalues', array([ 4.53586989e+03, 9.27357840e+03, 3.17142777e+11,
7.17425489e+11, 1.18988228e+12]))
('NEW_L_MULTIPLIERS', array([ -1794.01307596, -5675.70568535, 6904.24245345, -19909.32642005,
-41338.17062243, -37800.80068769, -44884.76123306]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 2.28081840e-18, -8.32667268e-17,
0.00000000e+00, 8.88463057e-05, -2.09392796e-05,
-6.79070261e-05]))
('penalty', 10000)
('old_driving_force', -39852.159489197657, 8.8846305746403953e-05)
('sublsum', -0.013880578299538456)
(1.0, -39853.942680473614, 4.1479786383469275e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6166141 0.33333334 0.05005256], NP=0.23622440635437594), CompositionSet(BCC_A2, [ 0.14970452 0.65629032 0.19400516], NP=0.763775593645624)])
('step', array([ 8.02108951e-04, 1.77578635e-08, -8.02126709e-04,
3.37072567e-09, -1.41138567e-08, 1.07431310e-08,
-2.49486844e-04, 5.04874328e-06, 2.44438101e-04,
0.00000000e+00, -5.28925581e-05, 5.28925581e-05]))
('conv_angle', 89.969666002492986)
('Site fractions', array([ 9.24921146e-01, 1.87819460e-08, 7.50788356e-02,
3.74601536e-09, 9.99999985e-01, 1.14981221e-08,
1.49704521e-01, 6.56290321e-01, 1.94005158e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.23622441, 0.76377559]))
('Chemical potentials', array([-41338.17062243, -37800.80068769, -44884.76123306]))
('Chem pot progress', array([ -3.70928777, 18.72660048, -9.51729821]))
('Energy progress', -0.17400842250935966)
('Driving force', 0.0070479109344887547)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6166141 0.33333334 0.05005256], NP=0.23622440635437594), CompositionSet(BCC_A2, [ 0.14970452 0.65629032 0.19400516], NP=0.763775593645624)])
('reduced_hessian eigenvalues', array([ 4.55495356e+03, 9.35568606e+03, 2.22634265e+10,
3.91154130e+10, 1.11435453e+11]))
('NEW_L_MULTIPLIERS', array([ -1794.0284556 , -5675.74706949, 6904.2152284 , -19909.27239543,
-41338.1846622 , -37800.78853424, -44884.77242599]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 7.43904271e-17, 1.11022302e-16,
0.00000000e+00, -4.14797864e-08, 2.66663580e-10,
4.12131227e-08]))
('penalty', 10000)
('old_driving_force', -39853.942680473738, 4.1479786383469275e-08)
('sublsum', -0.0054400907295534921)
(1.0, -39853.948201650404, 7.2297723363590194e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61661112 0.33333347 0.05005541], NP=0.23622654617641342), CompositionSet(BCC_A2, [ 0.14970419 0.65629119 0.19400463], NP=0.7637734538235866)])
('step', array([ -4.47599983e-06, 2.71121066e-07, 4.20487877e-06,
2.50348181e-08, -1.57373276e-07, 1.32338457e-07,
-3.33476607e-07, 8.64781052e-07, -5.31304445e-07,
0.00000000e+00, 2.13982204e-06, -2.13982204e-06]))
('conv_angle', 87.526534216499854)
('Site fractions', array([ 9.24916670e-01, 2.89903012e-07, 7.50830404e-02,
2.87808335e-08, 9.99999827e-01, 1.43836579e-07,
1.49704187e-01, 6.56291186e-01, 1.94004627e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.23622655, 0.76377345]))
('Chemical potentials', array([-41338.1846622 , -37800.78853424, -44884.77242599]))
('Chem pot progress', array([-0.01403978, 0.01215345, -0.01119293]))
('Energy progress', -0.004546534095425159)
('Driving force', 0.00074839562148554251)
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(1.0, -39902.166987537719, 4.4618753136660416e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58052876 0.36188882 0.05758242], NP=0.2693086981901229), CompositionSet(BCC_A2, [ 0.14186368 0.66038858 0.19774774], NP=0.7306913018098772)])
('step', array([ -7.78259980e-06, 7.79397145e-06, -1.13716522e-08,
4.04658772e-11, -2.21052411e-07, 2.21011945e-07,
1.63873251e-06, -1.73965095e-06, 1.00918438e-07,
0.00000000e+00, 6.50220407e-07, -6.50220406e-07]))
('conv_angle', 49.592420339081364)
('Site fractions', array([ 8.70791535e-01, 4.37222048e-02, 8.54862598e-02,
3.21557945e-06, 9.98222048e-01, 1.77473689e-03,
1.41863677e-01, 6.60388583e-01, 1.97747740e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.2693087, 0.7306913]))
('Chemical potentials', array([-41690.61252826, -37766.31976752, -44738.38916219]))
('Chem pot progress', array([ 0.06716492, -0.01254909, -0.00874886]))
('Energy progress', -0.0003386024836800061)
('Driving force', 8.3555642049759626e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58052876 0.36188882 0.05758242], NP=0.2693086981901229), CompositionSet(BCC_A2, [ 0.14186368 0.66038858 0.19774774], NP=0.7306913018098772)])
('reduced_hessian eigenvalues', array([ 3.57015066e+03, 8.55088314e+03, 2.18424081e+04,
1.80956771e+05, 1.33631137e+08]))
('NEW_L_MULTIPLIERS', array([ -1916.6985897 , -6239.33128379, 6601.32363532, -19083.40892184,
-41690.61252078, -37766.3197719 , -44738.38915326]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 1.62630326e-17, -5.55111512e-17,
0.00000000e+00, -4.43911574e-12, 4.46187531e-12,
-2.26485497e-14]))
('penalty', 10000)
('old_driving_force', -39902.166987537719, 4.4618753136660416e-12)
('sublsum', -6.2491299974331403e-15)
(1.0, -39902.166987626973, 4.163336342344337e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58052876 0.36188882 0.05758242], NP=0.26930869780302874), CompositionSet(BCC_A2, [ 0.14186368 0.66038858 0.19774774], NP=0.7306913021969712)])
('step', array([ 8.30104282e-10, -3.73372982e-10, -4.56731300e-10,
1.35959136e-13, 2.72885523e-12, -2.86483063e-12,
3.44816207e-11, -7.28340367e-11, 3.83524715e-11,
0.00000000e+00, -3.87094155e-10, 3.87094005e-10]))
('conv_angle', 82.458858134355694)
('Site fractions', array([ 8.70791536e-01, 4.37222045e-02, 8.54862593e-02,
3.21557959e-06, 9.98222048e-01, 1.77473689e-03,
1.41863677e-01, 6.60388583e-01, 1.97747740e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.2693087, 0.7306913]))
('Chemical potentials', array([-41690.61252078, -37766.3197719 , -44738.38915326]))
('Chem pot progress', array([ 7.48075399e-06, -4.37743438e-06, 8.93420656e-06]))
('Energy progress', -1.758598955348134e-08)
('Driving force', -1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.14186368 0.66038858 0.19774774], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14186368 0.66038858 0.19774774], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.14186368 0.66038858 0.19774774], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14186368 0.66038859 0.19774773], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14186368 0.66038859 0.19774773], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14186368 0.66038858 0.19774774], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14186367 0.66038858 0.19774775], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14186367 0.66038859 0.19774773], NP=1.0), 0.0)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.58052877 0.36188881 0.05758242], NP=1.0), -7.275957614183426e-12)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9326.54472383, -25806.72574123, -40320.3675572 , -38226.790184 ,
-45009.24301059]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 3.17197416e-02,
-6.99113130e-02, 3.81915714e-02]))
('penalty', 10000)
('old_driving_force', -38409.217256329815, 0.069911312986873142)
('sublsum', -58.72339162856656)
(1.0, -39833.458321763988, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.62 0.2 ], NP=1.0)])
('step', array([ -3.17197416e-02, 6.99113130e-02, -3.81915714e-02,
0.00000000e+00, 6.88765111e-17]))
('conv_angle', 50.615307629443244)
('Site fractions', array([ 0.18, 0.62, 0.2 , 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-40320.3675572 , -38226.790184 , -45009.24301059]))
('Chem pot progress', array([ 2180.805066 , -779.79994439, -778.53937791]))
('Energy progress', -119.97257449376048)
('Driving force', 126.66635472892813)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.62 0.2 ], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9155.77413077, -25846.69881909, -40284.80113799, -38045.46909657,
-44970.01638526]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -39833.458321763988, 5.5511151231257827e-17)
('sublsum', -2.5041600575335799e-28)
(1.0, -39833.458321763988, 5.5511151231257827e-17)
(0.5, -39833.458321763988, 5.5511151231257827e-17)
(0.25, -39833.458321763988, 5.5511151231257827e-17)
(0.125, -39833.458321763988, 5.5511151231257827e-17)
(0.0625, -39833.458321763988, 5.5511151231257827e-17)
(0.03125, -39833.458321763988, 5.5511151231257827e-17)
(0, -39833.458321763988, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.62 0.2 ], NP=1.0)])
('step', array([ -9.99200722e-18, -3.44169138e-17, -1.11022302e-17,
0.00000000e+00, 5.55111512e-17]))
('conv_angle', 59.090808658867985)
('Site fractions', array([ 0.18, 0.62, 0.2 , 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-40284.80113799, -38045.46909657, -44970.01638526]))
('Chem pot progress', array([ 35.56641921, 181.32108743, 39.22662533]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.62 0.2 ], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9155.77413077, -25846.69881909, -40284.80113799, -38045.46909657,
-44970.01638526]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -39833.458321763988, 5.5511151231257827e-17)
('sublsum', -2.5041600575335799e-28)
(1.0, -39833.458321763988, 5.5511151231257827e-17)
(0.5, -39833.458321763988, 5.5511151231257827e-17)
(0.25, -39833.458321763988, 5.5511151231257827e-17)
(0.125, -39833.458321763988, 5.5511151231257827e-17)
(0.0625, -39833.458321763988, 5.5511151231257827e-17)
(0.03125, -39833.458321763988, 5.5511151231257827e-17)
(0, -39833.458321763988, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.62 0.2 ], NP=1.0)])
('step', array([ -9.99200722e-18, -3.44169138e-17, -1.11022302e-17,
0.00000000e+00, 5.55111512e-17]))
('conv_angle', 59.090808658867985)
('Site fractions', array([ 0.18, 0.62, 0.2 , 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-40284.80113799, -38045.46909657, -44970.01638526]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.18 0.61999999 0.20000001], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.18 0.62000001 0.19999999], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.18 0.62 0.2 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.18 0.62 0.2 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.18 0.62 0.2 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.18000002 0.61999998 0.2 ], NP=1.0), 0.0)], 'LAVES_C36': [(CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 193.97763015101373), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 193.97763015101373), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 193.97763015101373), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 193.97763015101373), (CompositionSet(LAVES_C36, [ 0.61489473 0.33997853 0.04512674], NP=1.0), 561.8089328849528), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 193.97763015101373), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 193.97763015101373), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 193.97763015101373), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 193.97763015101373), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 193.97763015101373)], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 256.5075201597065), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 256.5075201597065), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 256.5075201597065), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 256.5075201597065), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 256.5075201597065), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 256.5075201597065), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 256.5075201597065), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 256.5075201597065), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 256.5075201597065), (CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=1.0), 718.7271026127419)], 'HCP_A3': []})
Adding CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08)
Adding CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.31776778907820835)
Adding CompositionSet(BCC_A2, [ 0.18 0.61999999 0.20000001], NP=0.6822321808107347)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.31776778907820835), CompositionSet(BCC_A2, [ 0.18 0.61999999 0.20000001], NP=0.6822321808107347)])
('reduced_hessian eigenvalues', array([ -3.89973788e+02, -2.78610044e+02, 2.72702529e-03,
2.22316568e-02, 1.31678882e+01, 3.89707137e+03,
5.07422764e+03, 1.39133398e+04]))
('reduced_hessian modified eigenvalues', array([ 2.72702529e-03, 2.22316568e-02, 1.31678882e+01,
2.78610044e+02, 3.89973788e+02, 3.89707137e+03,
5.07422764e+03, 1.39133398e+04]))
('NEW_L_MULTIPLIERS', array([ -1159.83552968, -3340.34699219, 2296.06737782, -6536.31955214,
5623.71077655, -15993.85076544, -42655.85541141, -37905.86619061,
-43863.36317117]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, -2.77555756e-17]))
('penalty', 100.0)
('old_driving_force', -39833.458343405611, 9.7144514654701197e-17)
('sublsum', -102.18204208638815)
(1.0, -39399.890151130632, 0.21252782914894242)
(0.5, -39526.988398723071, 0.10626226105751019)
(0.25, -39672.936553115534, 0.053129477011794005)
(0.125, -39759.718220167575, 0.02656308498893592)
(0.0625, -39795.842734723992, 0.013279888977506822)
(0.03125, -39814.30716930476, 0.0066382909717923842)
(0, -39833.458343405611, 9.7144514654701197e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.31776778907820835), CompositionSet(BCC_A2, [ 0.18 0.61999999 0.20000001], NP=0.6822321808107347)])
('step', array([-0.04710861, -0.20414146, 0.25125007, -0.21253114, -0.06368144,
0.27621257, -0.05716779, 0.03995131, 0.01721648, 0. ,
-0.06091172, 0.03671287, 0.02419885, 0. , 0.14217089,
-0.06898719, -0.07318371]))
('conv_angle', 88.42640923283632)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00, 1.79999999e-01, 6.19999991e-01,
2.00000010e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 3.17767789e-01, 6.82232181e-01]))
('Chemical potentials', array([-42655.85541141, -37905.86619061, -43863.36317117]))
('Chem pot progress', array([-1183.40365759, 394.86343362, -753.5398677 ]))
('Energy progress', 0.0)
('Driving force', 118.90530306076107)
Removing CompositionSet(BCC_A2, [ 0.18 0.61999999 0.20000001], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -3.30202867e+02, 3.37020490e-03, 2.41626864e-02,
1.20561152e+01, 4.73949954e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37020490e-03, 2.41626864e-02, 1.20561152e+01,
3.30202867e+02, 4.73949954e+03]))
('NEW_L_MULTIPLIERS', array([ -983.35454903, -2935.10247593, 8130.74035563, -22899.34500185,
-42588.87574064, -37950.03097971, -44157.5055226 ]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 10.0)
('old_driving_force', -39833.458394948, 3.614235744020533e-08)
('sublsum', -90.432598109872529)
(1.0, -39640.185206757909, 0.17979665770437914)
(0.5, -39687.448989724246, 0.090640405277851374)
(0.25, -39742.79784672938, 0.0460622790645875)
(0.125, -39781.240783469533, 0.023773215957955562)
(0.0625, -39803.807723564329, 0.012628684404639594)
(0.03125, -39816.069765106702, 0.0070564186279816095)
(0, -39833.458394948, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.16941252, 0.02898909, 0.14042343, -0.24273563, 0.06442312,
0.1783125 , -0.05285489, 0.03340217, 0.01945272, 0. ,
0.12582345, -0.12582345]))
('conv_angle', 88.250298032083776)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42588.87574064, -37950.03097971, -44157.5055226 ]))
('Chem pot progress', array([ 66.97967077, -44.1647891 , -294.14235144]))
('Energy progress', 0.0)
('Driving force', 193.05954958689836)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.79991873e+02, 3.37950652e-03, 2.42922899e-02,
1.20033103e+01, 4.61418297e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37950652e-03, 2.42922899e-02, 1.20033103e+01,
2.79991873e+02, 4.61418297e+03]))
('NEW_L_MULTIPLIERS', array([ -1012.27582838, -3041.12690135, 8064.23091818, -22805.3048996 ,
-42635.4269327 , -37925.80664324, -44138.35551345]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0)
('old_driving_force', -39833.45839743012, 3.614235744020533e-08)
('sublsum', -93.816085302070846)
(1.0, -39619.910038726928, 0.18827990223796348)
(0.5, -39673.811021605579, 0.09488202754464356)
(0.25, -39734.682903839392, 0.048183090197983593)
(0.125, -39776.704936353439, 0.024833621524653609)
(0.0625, -39801.344394799533, 0.013158887187988617)
(0.03125, -39814.730797778015, 0.0073215200196561211)
(0, -39833.45839743012, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19928069, 0.05784476, 0.14143593, -0.27148061, 0.08468486,
0.18679575, -0.05483243, 0.03465189, 0.02018054, 0. ,
0.13053107, -0.13053107]))
('conv_angle', 88.405514862062972)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42635.4269327 , -37925.80664324, -44138.35551345]))
('Chem pot progress', array([-46.55119206, 24.22433648, 19.15000916]))
('Energy progress', 0.0)
('Driving force', 182.58967187971575)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.90944165e+02, 3.37974832e-03, 2.43071740e-02,
1.19912267e+01, 4.65064130e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37974832e-03, 2.43071740e-02, 1.19912267e+01,
2.90944165e+02, 4.65064130e+03]))
('NEW_L_MULTIPLIERS', array([ -1002.18143671, -3011.00576326, 8081.69677143, -22832.59084883,
-42625.48875506, -37930.16197427, -44150.5594376 ]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 0.1)
('old_driving_force', -39833.458397223396, 3.614235744020533e-08)
('sublsum', -92.889009052162478)
(1.0, -39632.566485773626, 0.1824645497063932)
(0.5, -39681.909422919642, 0.091974351278858404)
(0.25, -39739.377237114837, 0.046729252065091015)
(0.125, -39779.275132082606, 0.02410670245820732)
(0.0625, -39802.712240280096, 0.012795427654765473)
(0.03125, -39815.454748874035, 0.0071397902530445489)
(0, -39833.458397223396, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19411586, 0.05916455, 0.13495131, -0.26557804, 0.08459764,
0.1809804 , -0.05429058, 0.03430947, 0.01998112, 0. ,
0.12924118, -0.12924118]))
('conv_angle', 88.36892301760237)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42625.48875506, -37930.16197427, -44150.5594376 ]))
('Chem pot progress', array([ 9.93817764, -4.35533103, -12.20392415]))
('Energy progress', 0.0)
('Driving force', 185.9418902452162)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.87652564e+02, 3.37976479e-03, 2.43092795e-02,
1.19912915e+01, 4.64099275e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976479e-03, 2.43092795e-02, 1.19912915e+01,
2.87652564e+02, 4.64099275e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.71941135, -3019.11706605, 8076.92486317, -22825.24529144,
-42628.54716117, -37928.67818346, -44148.12828097]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 0.01)
('old_driving_force', -39833.458397333372, 3.614235744020533e-08)
('sublsum', -93.141919243211376)
(1.0, -39630.033838179617, 0.18354131832806353)
(0.5, -39680.305901620028, 0.09251273558969357)
(0.25, -39738.447864493275, 0.046998444220508598)
(0.125, -39778.764019652488, 0.024241298535916112)
(0.0625, -39802.438411927906, 0.012862725693619868)
(0.03125, -39815.308344365774, 0.0071734392724717468)
(0, -39833.458397333372, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19593167, 0.06013106, 0.13580061, -0.26746506, 0.08540789,
0.18205717, -0.0544384 , 0.03440288, 0.02003552, 0. ,
0.12959307, -0.12959307]))
('conv_angle', 88.379648000024432)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42628.54716117, -37928.67818346, -44148.12828097]))
('Chem pot progress', array([-3.05840612, 1.48379081, 2.43115663]))
('Energy progress', 0.0)
('Driving force', 185.08622161520179)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88511267e+02, 3.37976612e-03, 2.43094791e-02,
1.19908688e+01, 4.64366135e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976612e-03, 2.43094791e-02, 1.19908688e+01,
2.88511267e+02, 4.64366135e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.00127624, -3016.89531357, 8078.22384414, -22827.25703038,
-42627.75860211, -37929.04425262, -44148.90527167]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 0.001)
('old_driving_force', -39833.458397309594, 3.614235744020533e-08)
('sublsum', -93.073059860983975)
(1.0, -39630.831458676454, 0.18318506421782316)
(0.5, -39680.81512970708, 0.092334608534573384)
(0.25, -39738.74329567379, 0.046909380692948505)
(0.125, -39778.926162066971, 0.024196766772136065)
(0.0625, -39802.524983491057, 0.012840459811729845)
(0.03125, -39815.354384296188, 0.0071623063315267351)
(0, -39833.458397309594, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19548831, 0.06003339, 0.13545493, -0.26698646, 0.08528555,
0.18170091, -0.05439816, 0.03437745, 0.02002071, 0. ,
0.12949726, -0.12949726]))
('conv_angle', 88.376820631981275)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.75860211, -37929.04425262, -44148.90527167]))
('Chem pot progress', array([ 0.78855907, -0.36606917, -0.77699071]))
('Energy progress', 0.0)
('Driving force', 185.32664203154854)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88272469e+02, 3.37976641e-03, 2.43095242e-02,
1.19909320e+01, 4.64293936e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976641e-03, 2.43095242e-02, 1.19909320e+01,
2.88272469e+02, 4.64293936e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.19360237, -3017.49938363, 8077.86964858, -22826.7100107 ,
-42627.97927053, -37928.93956323, -44148.70822607]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 0.0001)
('old_driving_force', -39833.458397316805, 3.614235744020533e-08)
('sublsum', -93.091834808164663)
(1.0, -39630.627626405643, 0.18327406858455247)
(0.5, -39680.68552103285, 0.092379110717938057)
(0.25, -39738.668147926022, 0.046931631784630841)
(0.125, -39778.884884591622, 0.024207892317977233)
(0.0625, -39802.502912023265, 0.012846022584650429)
(0.03125, -39815.342618813804, 0.0071650877179870271)
(0, -39833.458397316805, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.1956159 , 0.06008151, 0.13553439, -0.26712158, 0.08533166,
0.18178992, -0.05440913, 0.03438438, 0.02002474, 0. ,
0.12952338, -0.12952338]))
('conv_angle', 88.377603225513482)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.97927053, -37928.93956323, -44148.70822607]))
('Chem pot progress', array([-0.22066843, 0.10468939, 0.19704561]))
('Energy progress', 0.0)
('Driving force', 185.2620457966259)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88336936e+02, 3.37976642e-03, 2.43095247e-02,
1.19909081e+01, 4.64313680e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095247e-02, 1.19909081e+01,
2.88336936e+02, 4.64313680e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.14075953, -3017.33459392, 8077.96614242, -22826.85923008,
-42627.91987841, -37928.96745818, -44148.76380956]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1e-05)
('old_driving_force', -39833.458397314927, 3.614235744020533e-08)
('sublsum', -93.086719815955135)
(1.0, -39630.684870385172, 0.18324878289983981)
(0.5, -39680.721996516739, 0.092366467875581726)
(0.25, -39738.689303941537, 0.046925310363452676)
(0.125, -39778.896500873059, 0.02420473160738815)
(0.0625, -39802.509118961636, 0.012844442229355888)
(0.03125, -39815.345923724926, 0.0071642975403397565)
(0, -39833.458397314927, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.195582 , 0.06007115, 0.13551085, -0.26708537, 0.08532074,
0.18176463, -0.05440614, 0.0343825 , 0.02002364, 0. ,
0.12951626, -0.12951626]))
('conv_angle', 88.377391502841974)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.91987841, -37928.96745818, -44148.76380956]))
('Chem pot progress', array([ 0.05939213, -0.02789495, -0.0555835 ]))
('Energy progress', 0.0)
('Driving force', 185.27976678538107)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88319291e+02, 3.37976643e-03, 2.43095262e-02,
1.19909138e+01, 4.64308308e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095262e-02, 1.19909138e+01,
2.88319291e+02, 4.64308308e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15510449, -3017.3794791 , 8077.93984286, -22826.81858498,
-42627.93615892, -37928.95977496, -44148.74890464]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-06)
('old_driving_force', -39833.458397315444, 3.614235744020533e-08)
('sublsum', -93.08811390177415)
(1.0, -39630.669485797145, 0.18325554137635225)
(0.5, -39680.712203483803, 0.09236984711383793)
(0.25, -39738.683624935642, 0.046926999982580778)
(0.125, -39778.89338213989, 0.024205576416952201)
(0.0625, -39802.507451982361, 0.012844864634137913)
(0.03125, -39815.34503566286, 0.0071645087427307692)
(0, -39833.458397315444, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19559135, 0.06007433, 0.13551703, -0.26709531, 0.08532393,
0.18177139, -0.05440695, 0.03438301, 0.02002394, 0. ,
0.1295182 , -0.1295182 ]))
('conv_angle', 88.37744939719073)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93615892, -37928.95977496, -44148.74890464]))
('Chem pot progress', array([-0.01628051, 0.00768323, 0.01490492]))
('Energy progress', 0.0)
('Driving force', 185.27495269157225)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88324089e+02, 3.37976642e-03, 2.43095260e-02,
1.19909121e+01, 4.64309773e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095260e-02, 1.19909121e+01,
2.88324089e+02, 4.64309773e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15118822, -3017.36724456, 8077.94700929, -22826.82966366,
-42627.93173455, -37928.96185825, -44148.75299752]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-07)
('old_driving_force', -39833.458397315306, 3.614235744020533e-08)
('sublsum', -93.087734022017074)
(1.0, -39630.673705624635, 0.1832536826622182)
(0.5, -39680.714890934032, 0.092368917756770919)
(0.25, -39738.685183537011, 0.046926535304047272)
(0.125, -39778.894238009481, 0.024205344077685449)
(0.0625, -39802.507909378655, 0.012844748464504537)
(0.03125, -39815.345279273337, 0.007164450657914081)
(0, -39833.458397315306, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558882, 0.06007351, 0.13551531, -0.26709261, 0.08532308,
0.18176953, -0.05440673, 0.03438287, 0.02002386, 0. ,
0.12951768, -0.12951768]))
('conv_angle', 88.377433645594508)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93173455, -37928.96185825, -44148.75299752]))
('Chem pot progress', array([ 0.00442437, -0.00208329, -0.00409288]))
('Energy progress', 0.0)
('Driving force', 185.27626652389881)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88322780e+02, 3.37976642e-03, 2.43095261e-02,
1.19909126e+01, 4.64309374e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909126e+01,
2.88322780e+02, 4.64309374e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15225453, -3017.37057826, 8077.94505629, -22826.8266449 ,
-42627.93294182, -37928.96128918, -44148.75188616]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-08)
('old_driving_force', -39833.458397315342, 3.614235744020533e-08)
('sublsum', -93.087837547019518)
(1.0, -39630.672559144601, 0.18325418701122148)
(0.5, -39680.714160961594, 0.09236916993127256)
(0.25, -39738.68476020496, 0.046926661391298093)
(0.125, -39778.894005538445, 0.024205407121310859)
(0.0625, -39802.507785131857, 0.012844779986317242)
(0.03125, -39815.345213091299, 0.0071644664188204336)
(0, -39833.458397315342, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558951, 0.06007374, 0.13551577, -0.26709335, 0.08532332,
0.18177003, -0.05440679, 0.03438291, 0.02002389, 0. ,
0.12951782, -0.12951782]))
('conv_angle', 88.377437941338769)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93294182, -37928.96128918, -44148.75188616]))
('Chem pot progress', array([-0.00120727, 0.00056907, 0.00111136]))
('Energy progress', 0.0)
('Driving force', 185.27590873740701)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323137e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309483e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323137e+02, 4.64309483e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15196383, -3017.36966974, 8077.9455885 , -22826.82746758,
-42627.93261303, -37928.96144409, -44148.75218954]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-09)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087809335657425)
(1.0, -39630.672872011804, 0.18325404929962491)
(0.5, -39680.714360185106, 0.092369101075474261)
(0.25, -39738.684875742598, 0.046926626963398943)
(0.125, -39778.894068984446, 0.024205389907361284)
(0.0625, -39802.50781904014, 0.012844771379342455)
(0.03125, -39815.345231152096, 0.0071644621153330399)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558932, 0.06007368, 0.13551565, -0.26709315, 0.08532325,
0.1817699 , -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951778, -0.12951778]))
('conv_angle', 88.377436771117758)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93261303, -37928.96144409, -44148.75218954]))
('Chem pot progress', array([ 0.00032879, -0.0001549 , -0.00030337]))
('Energy progress', 0.0)
('Driving force', 185.27600627033098)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323040e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309453e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323040e+02, 4.64309453e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15204304, -3017.36991732, 8077.94544346, -22826.8272434 ,
-42627.93270266, -37928.96140185, -44148.75210693]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-10)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087817023641975)
(1.0, -39630.672786796873, 0.18325408679351241)
(0.5, -39680.714305930858, 0.092369119822418008)
(0.25, -39738.684844279145, 0.046926636336870817)
(0.125, -39778.894051706622, 0.024205394594097221)
(0.0625, -39802.507809806011, 0.012844773722710423)
(0.03125, -39815.345226233527, 0.0071644632870170241)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558937, 0.06007369, 0.13551568, -0.2670932 , 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437090072434)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93270266, -37928.96140185, -44148.75210693]))
('Chem pot progress', array([ -8.96258207e-05, 4.22356388e-05, 8.26066607e-05]))
('Energy progress', 0.0)
('Driving force', 185.27597969555063)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323066e+02, 3.37976642e-03, 2.43095261e-02,
1.19909125e+01, 4.64309461e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323066e+02, 4.64309461e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202145, -3017.36984985, 8077.94548299, -22826.82730449,
-42627.93267823, -37928.96141336, -44148.75212945]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-11)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087814928582404)
(1.0, -39630.672810047276, 0.18325407656515869)
(0.5, -39680.714320728584, 0.092369114708241162)
(0.25, -39738.684852860322, 0.046926633779782394)
(0.125, -39778.894056418772, 0.024205393315553009)
(0.0625, -39802.507812324373, 0.012844773083438317)
(0.03125, -39815.3452275749, 0.0071644629673809712)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551567, -0.26709319, 0.08532327,
0.18176992, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437003155791)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93267823, -37928.96141336, -44148.75212945]))
('Chem pot progress', array([ 2.44207622e-05, -1.15068615e-05, -2.25197800e-05]))
('Energy progress', 0.0)
('Driving force', 185.27598693802429)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323059e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309459e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323059e+02, 4.64309459e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202733, -3017.36986824, 8077.94547222, -22826.82728784,
-42627.93268489, -37928.96141022, -44148.75212331]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-12)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815499512729)
(1.0, -39630.672803726775, 0.18325407933702742)
(0.5, -39680.714316711805, 0.092369116094175516)
(0.25, -39738.68485053155, 0.04692663447274957)
(0.125, -39778.894055139986, 0.024205393662036598)
(0.0625, -39802.507811640869, 0.012844773256680111)
(0.03125, -39815.34522721079, 0.0071644630540018683)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437026836361)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268489, -37928.96141022, -44148.75212331]))
('Chem pot progress', array([ -6.65537664e-06, 3.13612691e-06, 6.13582233e-06]))
('Energy progress', 0.0)
('Driving force', 185.27598496442806)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323061e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323061e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202573, -3017.36986323, 8077.94547515, -22826.82729238,
-42627.93268308, -37928.96141108, -44148.75212499]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-13)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815343926053)
(1.0, -39630.672805436901, 0.18325407858933768)
(0.5, -39680.714317798142, 0.092369115720330658)
(0.25, -39738.684851161284, 0.046926634285827142)
(0.125, -39778.89405548582, 0.024205393568575383)
(0.0625, -39802.507811825759, 0.012844773209949504)
(0.03125, -39815.345227309313, 0.0071644630306365647)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437020387077)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268308, -37928.96141108, -44148.75212499]))
('Chem pot progress', array([ 1.81361975e-06, -8.54583050e-07, -1.67222606e-06]))
('Energy progress', 0.0)
('Driving force', 185.27598550225957)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202617, -3017.36986459, 8077.94547435, -22826.82729114,
-42627.93268357, -37928.96141084, -44148.75212453]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-14)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815386325076)
(1.0, -39630.672804967275, 0.18325407879814481)
(0.5, -39680.714317497113, 0.092369115824734227)
(0.25, -39738.684850986516, 0.046926634338028926)
(0.125, -39778.89405538985, 0.024205393594676276)
(0.0625, -39802.507811774471, 0.01284477322299995)
(0.03125, -39815.345227282, 0.0071644630371617878)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437022146523)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268357, -37928.96141084, -44148.75212453]))
('Chem pot progress', array([ -4.94241249e-07, 2.32881575e-07, 4.55685949e-07]))
('Energy progress', 0.0)
('Driving force', 185.27598535570723)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202605, -3017.36986422, 8077.94547457, -22826.82729148,
-42627.93268344, -37928.96141091, -44148.75212465]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1e-15)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815374772461)
(1.0, -39630.672805122653, 0.18325407872208105)
(0.5, -39680.714317599464, 0.09236911578670233)
(0.25, -39738.684851046251, 0.046926634319012978)
(0.125, -39778.894055422577, 0.024205393585168301)
(0.0625, -39802.507811791882, 0.012844773218245963)
(0.03125, -39815.345227291204, 0.0071644630347847942)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021657983)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268344, -37928.96141091, -44148.75212465]))
('Chem pot progress', array([ 1.34677975e-07, -6.34609023e-08, -1.24178769e-07]))
('Energy progress', 0.0)
('Driving force', 185.27598539564497)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202608, -3017.36986432, 8077.94547451, -22826.82729139,
-42627.93268347, -37928.96141089, -44148.75212462]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000001e-16)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377920066)
(1.0, -39630.672805062793, 0.18325407875831679)
(0.5, -39680.714317555561, 0.092369115804820212)
(0.25, -39738.684851020233, 0.046926634328071919)
(0.125, -39778.894055408346, 0.024205393589697772)
(0.0625, -39802.507811784359, 0.012844773220510699)
(0.03125, -39815.34522728726, 0.0071644630359171619)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021797775)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212462]))
('Chem pot progress', array([ -3.66999302e-08, 1.73022272e-08, 3.38332029e-08]))
('Energy progress', 0.0)
('Driving force', 185.27598538475286)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.36986429, 8077.94547453, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1e-17)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377061375)
(1.0, -39630.672805075796, 0.18325407875202743)
(0.5, -39680.714317563899, 0.092369115801675519)
(0.25, -39738.684851025057, 0.046926634326499572)
(0.125, -39778.894055410987, 0.024205393588911599)
(0.0625, -39802.507811785756, 0.012844773220117612)
(0.03125, -39815.345227288009, 0.0071644630357206186)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021761168)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 9.98988980e-09, -4.71482053e-09, -9.22591425e-09]))
('Energy progress', 0.0)
('Driving force', 185.27598538772872)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1e-18)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377295883)
(1.0, -39630.6728050581, 0.18325407875500077)
(0.5, -39680.714317559112, 0.092369115803162205)
(0.25, -39738.684851022874, 0.046926634327242915)
(0.125, -39778.894055409823, 0.02420539358928327)
(0.0625, -39802.507811785144, 0.012844773220303448)
(0.03125, -39815.345227287711, 0.0071644630358135364)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773389)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -2.71393219e-09, 1.28056854e-09, 2.51748133e-09]))
('Energy progress', 0.0)
('Driving force', 185.27598538692109)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000001e-19)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377231522)
(1.0, -39630.67280506641, 0.18325407875496352)
(0.5, -39680.714317560029, 0.092369115803143567)
(0.25, -39738.684851023005, 0.046926634327233596)
(0.125, -39778.894055409874, 0.024205393589278611)
(0.0625, -39802.507811785174, 0.012844773220301118)
(0.03125, -39815.345227287697, 0.0071644630358123716)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 7.34871719e-10, -3.49245965e-10, -6.83940016e-10]))
('Energy progress', 0.0)
('Driving force', 185.27598538713937)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000001e-20)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377249598)
(1.0, -39630.672805074013, 0.18325407874467209)
(0.5, -39680.714317570244, 0.09236911579799785)
(0.25, -39738.684851029437, 0.046926634324660738)
(0.125, -39778.894055413388, 0.024205393587992181)
(0.0625, -39802.507811787007, 0.012844773219657903)
(0.03125, -39815.34522728865, 0.0071644630354907642)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021766582)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -1.96450856e-10, 9.45874490e-11, 1.89174898e-10]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000001e-21)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724478)
(1.0, -39630.672805065165, 0.18325407875154048)
(0.5, -39680.714317563077, 0.092369115801432061)
(0.25, -39738.684851025115, 0.046926634326377843)
(0.125, -39778.894055411045, 0.024205393588850734)
(0.0625, -39802.50781178577, 0.01284477322008718)
(0.03125, -39815.345227288009, 0.0071644630357054024)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021769552)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 5.09317033e-11, -2.91038305e-11, -5.82076609e-11]))
('Energy progress', 0.0)
('Driving force', 185.27598538710299)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976642e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1e-22)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246727)
(1.0, -39630.672805088572, 0.18325407874009109)
(0.5, -39680.714317575883, 0.092369115795707349)
(0.25, -39738.684851032398, 0.046926634323515487)
(0.125, -39778.894055414959, 0.024205393587419556)
(0.0625, -39802.507811787822, 0.012844773219371591)
(0.03125, -39815.345227289064, 0.0071644630353476079)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.3774370217632)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 7.27595761e-12, 7.27595761e-12, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976642e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000001e-23)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246542)
(1.0, -39630.672805074362, 0.18325407875151462)
(0.5, -39680.714317563972, 0.092369115801419113)
(0.25, -39738.684851025209, 0.046926634326371369)
(0.125, -39778.894055411038, 0.024205393588847497)
(0.0625, -39802.507811785777, 0.012844773220085561)
(0.03125, -39815.345227288017, 0.0071644630357045932)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021768287)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000001e-24)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-25)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-26)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-27)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-28)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-29)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-30)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-31)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-32)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-33)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-34)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-35)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-36)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-37)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-38)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-39)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-40)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-41)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-42)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-43)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-44)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-45)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-46)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000002e-47)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-48)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-49)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-50)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-51)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-52)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-53)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000003e-54)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-55)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-56)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-57)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-58)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-59)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-60)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000006e-61)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-62)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-63)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-64)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000006e-65)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-66)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-67)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-68)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-69)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-70)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-71)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-72)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-73)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-74)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000006e-75)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-76)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-77)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-78)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000004e-79)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-80)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-81)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-82)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000006e-83)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000006e-84)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000005e-85)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000006e-86)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000006e-87)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000006e-88)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000006e-89)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000006e-90)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000007e-91)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000007e-92)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-93)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-94)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-95)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000007e-96)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000007e-97)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-98)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-99)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-100)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-101)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-102)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-103)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-104)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-105)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-106)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-107)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-108)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-109)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-110)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-111)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-112)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-113)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-114)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-115)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-116)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-117)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-118)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-119)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-120)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-121)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-122)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-123)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-124)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-125)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-126)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-127)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-128)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-129)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-130)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-131)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-132)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000008e-133)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-134)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-135)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-136)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-137)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-138)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-139)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-140)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000009e-141)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-142)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-143)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-144)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-145)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-146)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-147)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-148)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-149)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-150)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-151)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-152)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-153)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-154)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-155)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-156)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-157)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-158)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-159)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-160)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-161)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-162)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-163)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-164)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-165)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-166)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-167)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-168)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-169)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-170)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-171)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-172)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-173)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-174)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-175)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-176)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-177)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-178)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-179)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-180)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-181)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-182)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000001e-183)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-184)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-185)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000011e-186)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-187)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-188)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-189)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-190)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-191)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-192)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-193)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-194)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-195)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-196)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-197)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-198)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-199)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-200)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-201)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-202)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-203)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000012e-204)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-205)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-206)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-207)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-208)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-209)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-210)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-211)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-212)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-213)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-214)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-215)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-216)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-217)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-218)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000013e-219)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-220)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-221)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-222)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000015e-223)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000015e-224)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000015e-225)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000014e-226)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000015e-227)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000015e-228)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000015e-229)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000015e-230)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000016e-231)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000016e-232)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000016e-233)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000016e-234)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000017e-235)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000018e-236)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000018e-237)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000017e-238)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000018e-239)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000018e-240)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000018e-241)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000018e-242)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000018e-243)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000019e-244)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-245)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-246)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-247)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-248)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000019e-249)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000019e-250)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-251)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-252)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-253)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-254)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-255)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-256)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-257)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-258)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-259)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-260)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-261)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-262)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-263)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-264)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-265)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-266)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-267)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-268)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-269)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-270)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-271)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-272)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-273)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-274)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-275)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.000000000000002e-276)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-277)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-278)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-279)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-280)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-281)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-282)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-283)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-284)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000021e-285)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-286)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-287)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000022e-288)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000023e-289)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000023e-290)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000023e-291)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268346, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000023e-292)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377245903)
(1.0, -39630.672805068978, 0.18325407875454897)
(0.5, -39680.714317560662, 0.092369115802936302)
(0.25, -39738.684851023289, 0.046926634327129964)
(0.125, -39778.894055409997, 0.024205393589226794)
(0.0625, -39802.507811785232, 0.01284477322027521)
(0.03125, -39815.34522728774, 0.0071644630357994175)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.37743702176985)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268346, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708116)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976643e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000023e-293)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.08781537724667)
(1.0, -39630.672805052956, 0.18325407876036726)
(0.5, -39680.714317553742, 0.092369115805845434)
(0.25, -39738.684851019556, 0.046926634328584529)
(0.125, -39778.894055407996, 0.024205393589954077)
(0.0625, -39802.507811784191, 0.012844773220638851)
(0.03125, -39815.345227287209, 0.0071644630359812382)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021773673)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, -7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('reduced_hessian eigenvalues', array([ -2.88323060e+02, 3.37976643e-03, 2.43095261e-02,
1.19909125e+01, 4.64309460e+03]))
('reduced_hessian modified eigenvalues', array([ 3.37976642e-03, 2.43095261e-02, 1.19909125e+01,
2.88323060e+02, 4.64309460e+03]))
('NEW_L_MULTIPLIERS', array([ -1004.15202607, -3017.3698643 , 8077.94547452, -22826.82729141,
-42627.93268347, -37928.96141089, -44148.75212463]))
('L_CONSTRAINTS', array([ -9.71445147e-17, 9.71445147e-17, 5.55111512e-17,
0.00000000e+00, -2.50857696e-08, 3.61423574e-08,
-1.10565878e-08]))
('penalty', 1.0000000000000023e-294)
('old_driving_force', -39833.458397315335, 3.614235744020533e-08)
('sublsum', -93.087815377246088)
(1.0, -39630.672805068221, 0.18325407875644961)
(0.5, -39680.714317558828, 0.092369115803886626)
(0.25, -39738.684851022103, 0.046926634327605125)
(0.125, -39778.89405540935, 0.024205393589464375)
(0.0625, -39802.50781178489, 0.012844773220394)
(0.03125, -39815.345227287566, 0.0071644630358588127)
(0, -39833.458397315335, 3.614235744020533e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60007207 0.35453121 0.04539673], NP=3.0111057119808376e-08), CompositionSet(BCC_A2, [ 0.17999996 0.62000004 0.19999999], NP=0.999999969888943)])
('step', array([-0.19558936, 0.06007369, 0.13551568, -0.26709319, 0.08532327,
0.18176993, -0.05440678, 0.0343829 , 0.02002388, 0. ,
0.12951779, -0.12951779]))
('conv_angle', 88.377437021770504)
('Site fractions', array([ 9.00106445e-01, 3.25405396e-02, 6.73530151e-02,
3.30703492e-06, 9.98512540e-01, 1.48415285e-03,
1.79999962e-01, 6.20000044e-01, 1.99999994e-01,
1.00000000e+00]))
('Phase fractions', array([ 3.01110571e-08, 9.99999970e-01]))
('Chemical potentials', array([-42627.93268347, -37928.96141089, -44148.75212463]))
('Chem pot progress', array([ -7.27595761e-12, 7.27595761e-12, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 185.27598538708844)
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.6200000000000001)), ('X_V', array(0.2))])
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.9995895952161515), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.00041040478384840855)])
('reduced_hessian eigenvalues', array([ 2.59570127e+02, 6.88282825e+11, 2.06484846e+12]))
('NEW_L_MULTIPLIERS', array([ 37622.51496135, -120343.56832193, -24619.23120901,
112327.29066919, -43819.13218861, -36746.9671096 ,
-71714.75382858]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 0.00000000e+00, -1.99922887e-16,
0.00000000e+00, 2.13843422e-02, 1.10440885e-01,
-1.31825227e-01]))
('penalty', 10000)
('old_driving_force', -40818.093822824972, 0.13182522697508578)
('sublsum', 997.47800799260585)
(1.0, -37339.611402279901, 0.38000000000099998)
(0.5, -37339.611402279901, 0.38000000000099998)
(0.25, -38409.469425775067, 0.31149348349716888)
(0.125, -40087.65556878817, 0.21091184724498901)
(0.0625, -40710.125221621864, 0.16062102911889897)
(0.03125, -40914.683752263591, 0.13913607688049107)
('alpha', 0.03125)
('Phases', [CompositionSet(BCC_A2, [ 0.14366046 0.75547562 0.10086392], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -5.69284656e-01, 8.04653090e-01, -2.35368434e-01,
0.00000000e+00, -2.56815813e-07, 5.41758922e-07,
-2.84943108e-07, 0.00000000e+00, 3.39216248e+00,
-3.39216248e+00]))
('conv_angle', 90.073175517056853)
('Site fractions', array([ 1.43660457e-01, 7.55475620e-01, 1.00863923e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-43819.13218861, -36746.9671096 , -71714.75382858]))
('Chem pot progress', array([ 1.89222687e+03, 8.96282152e-02, -2.75496943e+04]))
('Energy progress', 924.36774793904624)
('Driving force', 2431.933743265261)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14366046 0.75547562 0.10086392], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-86254.13349029, 5014.76323225, 85964.19101671]))
('reduced_hessian modified eigenvalues', array([ 5014.76323225, 85964.19101671, 86254.13349029]))
('NEW_L_MULTIPLIERS', array([ 5332.6109128 , -27185.66559163, 1047.2439002 , 384.00507792,
-38400.77224324, -33711.07400375, -35925.91880936]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, 3.66045683e-03, 1.35475620e-01,
-1.39136077e-01]))
('penalty', 10000)
('old_driving_force', -36366.288825201707, 0.13913607688049107)
('sublsum', -1251.6514334533526)
(1.0, -39905.308431349287, 0.0028352891911133105)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13833424 0.62283529 0.23883047], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([-0.00532622, -0.13264033, 0.13796655, 0. , -0.01420151,
0.02633201, -0.0121305 , 0. , 0.01159512, -0.01159512]))
('conv_angle', 55.42570457199794)
('Site fractions', array([ 1.38334240e-01, 6.22835289e-01, 2.38830471e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-38400.77224324, -33711.07400375, -35925.91880936]))
('Chem pot progress', array([ 5418.35994536, 3035.89310585, 35788.83501922]))
('Energy progress', -1093.5999940766924)
('Driving force', -5062.8197045540001)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13833424 0.62283529 0.23883047], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-91664.80945726, 5002.98013099, 95119.31220706]))
('reduced_hessian modified eigenvalues', array([ 5002.98013099, 91664.80945726, 95119.31220706]))
('NEW_L_MULTIPLIERS', array([ 8701.89009234, -26913.60804783, 729.23122786, 232.49933376,
-41587.797669 , -37201.84883841, -43548.38354163]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -1.66576004e-03, 2.83528919e-03,
-1.16952915e-03]))
('penalty', 10000)
('old_driving_force', -39909.634589503607, 0.0028352891911133105)
('sublsum', -7.2389573975124097)
(1.0, -39915.663766989383, 0.002531791466304889)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.1390714 0.62253179 0.2383968 ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 7.37164551e-04, -3.03497725e-04, -4.33666826e-04,
0.00000000e+00, -3.66367838e-05, 9.57743567e-04,
-9.21106785e-04, 0.00000000e+00, 6.71269446e-03,
-6.71269446e-03]))
('conv_angle', 60.871320884334558)
('Site fractions', array([ 1.39071405e-01, 6.22531791e-01, 2.38396804e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41587.797669 , -37201.84883841, -43548.38354163]))
('Chem pot progress', array([-3187.02542576, -3490.77483466, -7622.46473228]))
('Energy progress', -0.44010742798127467)
('Driving force', -627.24959285603109)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1390714 0.62253179 0.2383968 ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-90877.57210335, 5014.73379004, 93465.9005662 ]))
('reduced_hessian modified eigenvalues', array([ 5014.73379004, 90877.57210335, 93465.9005662 ]))
('NEW_L_MULTIPLIERS', array([ 8737.4709695 , -26879.74629805, 698.30304374, 221.08115875,
-41601.932509 , -37215.36445204, -43531.46553234]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -9.28595486e-04, 2.53179147e-03,
-1.60319598e-03]))
('penalty', 10000)
('old_driving_force', -39915.615550938237, 0.002531791466304889)
('sublsum', -7.3231059692181759)
(1.0, -39915.508081209613, 0.0025372496553388579)
(0.5, -39915.561816322137, 0.002534520560821818)
(0.25, -39915.588683692251, 0.002533156013563409)
(0.125, -39915.602117330767, 0.002532473739934149)
(0.0625, -39915.608834138366, 0.0025321326031194635)
(0.03125, -39915.612192539244, 0.0025319620347121763)
(0, -39915.615550938237, 0.002531791466304889)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.1390714 0.62253179 0.2383968 ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -6.20873033e-06, 5.45818903e-06, 7.50541300e-07,
0.00000000e+00, -1.05976806e-04, 8.82560645e-04,
-7.76583841e-04, 0.00000000e+00, 6.72175722e-03,
-6.72175722e-03]))
('conv_angle', 59.299364947677049)
('Site fractions', array([ 1.39071405e-01, 6.22531791e-01, 2.38396804e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41601.932509 , -37215.36445204, -43531.46553234]))
('Chem pot progress', array([-14.13484 , -13.51561362, 16.9180093 ]))
('Energy progress', 0.0)
('Driving force', -620.9031409898671)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1390714 0.62253179 0.2383968 ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-90883.47826939, 5014.66171156, 93478.34142711]))
('reduced_hessian modified eigenvalues', array([ 5014.66171156, 90883.47826939, 93478.34142711]))
('NEW_L_MULTIPLIERS', array([ 8737.50744801, -26879.6969763 , 698.2388339 , 221.02312014,
-41601.87550217, -37215.31213915, -43531.61836356]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -9.28595486e-04, 2.53179147e-03,
-1.60319598e-03]))
('penalty', 1000.0)
('old_driving_force', -39961.188121868181, 0.002531791466304889)
('sublsum', -7.3223118876887243)
(1.0, -39961.179137222993, 0.0025371048572369048)
(0.5, -39961.183629789994, 0.0025344481617709524)
(0.25, -39961.185875890194, 0.0025331198140379207)
(0.125, -39961.18699889446, 0.0025324556401713494)
(0.0625, -39961.187560385151, 0.0025321235532381747)
(0.03125, -39961.187841127597, 0.0025319575097715319)
(0, -39961.188121868181, 0.002531791466304889)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.1390714 0.62253179 0.2383968 ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -6.15538207e-06, 5.31339093e-06, 8.41991133e-07,
0.00000000e+00, -1.05316676e-04, 8.82696823e-04,
-7.77380149e-04, 0.00000000e+00, 6.72137361e-03,
-6.72137361e-03]))
('conv_angle', 59.299184504769237)
('Site fractions', array([ 1.39071405e-01, 6.22531791e-01, 2.38396804e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41601.87550217, -37215.31213915, -43531.61836356]))
('Chem pot progress', array([ 0.05700683, 0.05231289, -0.15283123]))
('Energy progress', 0.0)
('Driving force', -620.90720097086887)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1390714 0.62253179 0.2383968 ], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9210.51356143, -26071.35217894, -42005.43033511, -37985.42514677,
-43885.89900497]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, -9.28595486e-04,
2.53179147e-03, -1.60319598e-03]))
('penalty', 100.0)
('old_driving_force', -39964.738301463876, 0.0025317914653049112)
('sublsum', -0.10198439463680467)
(1.0, -39965.295773171842, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.62 0.24], NP=1.0)])
('step', array([ 9.28595486e-04, -2.53179147e-03, 1.60319598e-03,
0.00000000e+00, -2.71313436e-17]))
('conv_angle', 51.766720790203507)
('Site fractions', array([ 0.14, 0.62, 0.24, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-42005.43033511, -37985.42514677, -43885.89900497]))
('Chem pot progress', array([-403.55483294, -770.11300763, -354.28064141]))
('Energy progress', -13.243688051166828)
('Driving force', -0.95617406419478357)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14 0.62 0.24], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9211.40138733, -26071.35562304, -42006.51799417, -37986.3212476 ,
-43886.93366864]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -39965.295773171842, 0.0)
('sublsum', 0.0)
(1.0, -39965.295773171842, 0.0)
(0.5, -39965.295773171842, 0.0)
(0.25, -39965.295773171842, 0.0)
(0.125, -39965.295773171842, 0.0)
(0.0625, -39965.295773171842, 0.0)
(0.03125, -39965.295773171842, 0.0)
(0, -39965.295773171842, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.62 0.24], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.14, 0.62, 0.24, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-42006.51799417, -37986.3212476 , -43886.93366864]))
('Chem pot progress', array([-1.08765906, -0.89610083, -1.03466366]))
('Energy progress', 0.0)
('Driving force', 7.2759576141834259e-12)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14 0.62 0.24], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9211.40138733, -26071.35562304, -42006.51799417, -37986.3212476 ,
-43886.93366864]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 1000.0)
('old_driving_force', -39965.295773171842, 0.0)
('sublsum', 0.0)
(1.0, -39965.295773171842, 0.0)
(0.5, -39965.295773171842, 0.0)
(0.25, -39965.295773171842, 0.0)
(0.125, -39965.295773171842, 0.0)
(0.0625, -39965.295773171842, 0.0)
(0.03125, -39965.295773171842, 0.0)
(0, -39965.295773171842, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.62 0.24], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.14, 0.62, 0.24, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-42006.51799417, -37986.3212476 , -43886.93366864]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 7.2759576141834259e-12)
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py:249: RuntimeWarning: invalid value encountered in double_scalars
return func(*args2)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.14 0.62 0.24], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.13999997 0.62000007 0.23999996], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.14 0.61999999 0.24000001], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14 0.61999999 0.24000001], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14 0.61999999 0.24000001], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14 0.62 0.24], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14 0.62 0.24], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14 0.61999999 0.24 ], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.14 0.62 0.24], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.9633410436409686), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.036658956359031346)])
('reduced_hessian eigenvalues', array([ 2.68282633e+02, 6.13961405e+13, 1.84173840e+14]))
('NEW_L_MULTIPLIERS', array([ 31574.31589073, -101117.61583523, -19572.1835008 ,
89299.63792467, -43031.24138008, -36747.04715686,
-68404.10232458]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 0.00000000e+00, -1.99922887e-16,
0.00000000e+00, 1.55319917e-02, 8.02160240e-02,
-9.57480157e-02]))
('penalty', 10000)
('old_driving_force', -39933.167891486562, 0.095748015745454246)
('sublsum', 252.35954988115827)
(1.0, -35968.437703462834, 0.34000000000099995)
(0.5, -36102.288900332343, 0.34000000000099995)
(0.25, -37916.294385933281, 0.24078241958666668)
(0.125, -39292.299185037475, 0.15555631528973779)
(0.0625, -39855.717703105562, 0.11294326314127345)
(0.03125, -39982.334852798718, 0.098269436366233823)
('alpha', 0.03125)
('Phases', [CompositionSet(BCC_A2, [ 0.1466327 0.75163674 0.10173056], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -4.74172896e-01, 6.81808834e-01, -2.07635938e-01,
0.00000000e+00, -2.28516691e-09, 4.82596917e-09,
-2.54080206e-09, 0.00000000e+00, 2.73308501e+00,
-2.73308501e+00]))
('conv_angle', 90.028797430883628)
('Site fractions', array([ 1.46632699e-01, 7.51636737e-01, 1.01730564e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-43031.24138008, -36747.04715686, -68404.10232458]))
('Chem pot progress', array([ 2.68011768e+03, 9.58096008e-03, -2.42390428e+04]))
('Energy progress', 607.17583772173384)
('Driving force', 2010.5218014613492)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1466327 0.75163674 0.10173056], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-87073.35139088, 5021.08150988, 87170.12335072]))
('reduced_hessian modified eigenvalues', array([ 5021.08150988, 87073.35139088, 87170.12335072]))
('NEW_L_MULTIPLIERS', array([ 6462.74641022, -27196.60712727, 943.62283901, 337.67884807,
-39400.1598116 , -34858.50491267, -39755.65716008]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, 6.63269930e-03, 9.16367371e-02,
-9.82694364e-02]))
('penalty', 10000)
('old_driving_force', -37364.212015004021, 0.098269436366233823)
('sublsum', -620.76299525759532)
(1.0, -39657.947243118222, 0.0025323863735724483)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13850489 0.66253239 0.19896272], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([-0.00812781, -0.08910435, 0.09723216, 0. , -0.00959389,
0.01791577, -0.00832188, 0. , 0.0101963 , -0.0101963 ]))
('conv_angle', 53.90335017212815)
('Site fractions', array([ 1.38504889e-01, 6.62532386e-01, 1.98962725e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-39400.1598116 , -34858.50491267, -39755.65716008]))
('Chem pot progress', array([ 3631.08156848, 1888.54224419, 28648.4451645 ]))
('Energy progress', -818.2412145086855)
('Driving force', -3234.8279225955193)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13850489 0.66253239 0.19896272], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92060.4002252 , 5010.79612641, 95051.95307726]))
('reduced_hessian modified eigenvalues', array([ 5010.79612641, 92060.4002252 , 95051.95307726]))
('NEW_L_MULTIPLIERS', array([ 8625.92496458, -26823.11127806, 597.88109862, 190.95159413,
-41443.21899176, -37136.52297895, -44368.11023667]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -1.49511101e-03, 2.53238637e-03,
-1.03727536e-03]))
('penalty', 10000)
('old_driving_force', -39660.017405413324, 0.0025323863735724483)
('sublsum', -4.9981925374306)
(1.0, -39672.68714845644, 0.001891840696366387)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13922354 0.66189184 0.19888462], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 7.18653732e-04, -6.40545677e-04, -7.81080548e-05,
0.00000000e+00, -7.69483209e-05, 7.73428765e-04,
-6.96480446e-04, 0.00000000e+00, 5.60599186e-03,
-5.60599186e-03]))
('conv_angle', 60.744620475030537)
('Site fractions', array([ 1.39223543e-01, 6.61891841e-01, 1.98884617e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41443.21899176, -37136.52297895, -44368.11023667]))
('Chem pot progress', array([-2043.05918016, -2278.01806628, -4612.45307659]))
('Energy progress', -2.3890074474329595)
('Driving force', -524.74609010631684)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13922354 0.66189184 0.19888462], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-91582.57725862, 5016.91297732, 94168.42124249]))
('reduced_hessian modified eigenvalues', array([ 5016.91297732, 91582.57725862, 94168.42124249]))
('NEW_L_MULTIPLIERS', array([ 8651.53178428, -26791.94157759, 569.87977118, 180.89330863,
-41456.31851447, -37154.3978296 , -44365.69591735]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -7.76457280e-04, 1.89184070e-03,
-1.11538341e-03]))
('penalty', 10000)
('old_driving_force', -39672.660810414549, 0.001891840696366387)
('sublsum', -5.0399471664585089)
(1.0, -39673.334441388382, 0.0018577110598329005)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13923505 0.66185771 0.19890724], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 1.15034990e-05, -3.41296365e-05, 2.26261375e-05,
0.00000000e+00, -5.11535202e-05, 6.03895122e-04,
-5.52741604e-04, 0.00000000e+00, 5.49442836e-03,
-5.49442836e-03]))
('conv_angle', 58.307774058735689)
('Site fractions', array([ 1.39235046e-01, 6.61857711e-01, 1.98907243e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41456.31851447, -37154.3978296 , -44365.69591735]))
('Chem pot progress', array([-13.09952271, -17.87485065, 2.41431931]))
('Energy progress', -0.20368920564942528)
('Driving force', -511.56231956378178)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13923505 0.66185771 0.19890724], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-91587.43684682, 5016.88010552, 94176.86491504]))
('reduced_hessian modified eigenvalues', array([ 5016.88010552, 91587.43684682, 94176.86491504]))
('NEW_L_MULTIPLIERS', array([ 8652.17519203, -26790.88761593, 568.96743588, 180.56662346,
-41456.81142665, -37155.25554991, -44366.24794286]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -7.64953781e-04, 1.85771106e-03,
-1.09275728e-03]))
('penalty', 10000)
('old_driving_force', -39673.333828276787, 0.0018577110598329005)
('sublsum', -5.0410186090054241)
(1.0, -39673.386418735296, 0.0018550468802005504)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13923616 0.66185505 0.1989088 ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 1.11102516e-06, -2.66417963e-06, 1.55315447e-06,
0.00000000e+00, -4.65857220e-05, 5.94260099e-04,
-5.47674379e-04, 0.00000000e+00, 5.48599492e-03,
-5.48599492e-03]))
('conv_angle', 58.201288711406796)
('Site fractions', array([ 1.39236157e-01, 6.61855047e-01, 1.98908796e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41456.81142665, -37155.25554991, -44366.24794286]))
('Chem pot progress', array([-0.49291218, -0.85772032, -0.5520255 ]))
('Energy progress', -0.015285787754692137)
('Driving force', -510.81550510370289)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13923616 0.66185505 0.1989088 ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-91587.1033137 , 5016.88030157, 94177.44476329]))
('reduced_hessian modified eigenvalues', array([ 5016.88030157, 91587.1033137 , 94177.44476329]))
('NEW_L_MULTIPLIERS', array([ 8652.22214275, -26790.81140412, 568.90409012, 180.54492251,
-41456.84984058, -37155.32068195, -44366.28382492]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -7.63842756e-04, 1.85504688e-03,
-1.09120412e-03]))
('penalty', 10000)
('old_driving_force', -39673.386366409162, 0.0018550468802005504)
('sublsum', -5.0411720108673164)
(1.0, -39673.390001704764, 0.0018548627181989019)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13923623 0.66185486 0.1989089 ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 7.57545536e-08, -1.84162002e-07, 1.08407448e-07,
0.00000000e+00, -4.62649903e-05, 5.93540245e-04,
-5.47275256e-04, 0.00000000e+00, 5.48540707e-03,
-5.48540707e-03]))
('conv_angle', 58.193319433812277)
('Site fractions', array([ 1.39236233e-01, 6.61854863e-01, 1.98908904e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41456.84984058, -37155.32068195, -44366.28382492]))
('Chem pot progress', array([-0.03841393, -0.06513204, -0.03588207]))
('Energy progress', -0.0010596380961942486)
('Driving force', -510.75986332237517)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13923623 0.66185486 0.1989089 ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-91587.53349295, 5016.88029599, 94177.0411663 ]))
('reduced_hessian modified eigenvalues', array([ 5016.88029599, 91587.53349295, 94177.0411663 ]))
('NEW_L_MULTIPLIERS', array([ 8652.22695013, -26790.80237441, 568.89437976, 180.54170597,
-41456.85383397, -37155.32796562, -44366.28762416]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -7.63767002e-04, 1.85486272e-03,
-1.09109572e-03]))
('penalty', 10000)
('old_driving_force', -39673.389995389924, 0.0018548627181989019)
('sublsum', -5.0411333197485622)
(1.0, -39673.390591534218, 0.0018548325178905367)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13923625 0.66185483 0.19890892], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 1.24358427e-08, -3.02003084e-08, 1.77644657e-08,
0.00000000e+00, -4.62315830e-05, 5.93460415e-04,
-5.47228834e-04, 0.00000000e+00, 5.48531477e-03,
-5.48531477e-03]))
('conv_angle', 58.19253332116979)
('Site fractions', array([ 1.39236245e-01, 6.61854833e-01, 1.98908922e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41456.85383397, -37155.32796562, -44366.28762416]))
('Chem pot progress', array([-0.0039934 , -0.00728366, -0.00379924]))
('Energy progress', -0.00017373007722198963)
('Driving force', -510.75372300583695)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13923625 0.66185483 0.19890892], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-91587.47233275, 5016.88029683, 94177.10422935]))
('reduced_hessian modified eigenvalues', array([ 5016.88029683, 91587.47233275, 94177.10422935]))
('NEW_L_MULTIPLIERS', array([ 8652.22727485, -26790.80199627, 568.89434646, 180.54168186,
-41456.85409567, -37155.32835128, -44366.28786982]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -7.63754566e-04, 1.85483252e-03,
-1.09107795e-03]))
('penalty', 10000)
('old_driving_force', -39673.39059128677, 0.0018548325178905367)
('sublsum', -5.041141302561349)
(1.0, -39673.390588855123, 0.0018548326410771088)
(0.5, -39673.390590070943, 0.0018548325794838227)
(0.25, -39673.390590678871, 0.0018548325486872352)
(0.125, -39673.390590982803, 0.001854832533288886)
(0.0625, -39673.390591134805, 0.0018548325255897113)
(0.03125, -39673.390591210795, 0.001854832521740124)
(0, -39673.39059128677, 0.0018548325178905367)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13923625 0.66185483 0.19890892], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -5.07261784e-11, 1.23186610e-10, -7.24603765e-11,
0.00000000e+00, -4.62293343e-05, 5.93456057e-04,
-5.47226725e-04, 0.00000000e+00, 5.48531465e-03,
-5.48531465e-03]))
('conv_angle', 58.192473174462982)
('Site fractions', array([ 1.39236245e-01, 6.61854833e-01, 1.98908922e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41456.85409567, -37155.32835128, -44366.28786982]))
('Chem pot progress', array([-0.0002617 , -0.00038567, -0.00024566]))
('Energy progress', 0.0)
('Driving force', -510.75338244805607)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13923625 0.66185483 0.19890892], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-91587.47238535, 5016.88029681, 94177.10432347]))
('reduced_hessian modified eigenvalues', array([ 5016.88029681, 91587.47238535, 94177.10432347]))
('NEW_L_MULTIPLIERS', array([ 8652.22727668, -26790.80199434, 568.89434453, 180.54168071,
-41456.85409607, -37155.32835102, -44366.28787032]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -7.63754566e-04, 1.85483252e-03,
-1.09107795e-03]))
('penalty', 1000.0)
('old_driving_force', -39706.777576619148, 0.0018548325178905367)
('sublsum', -5.0411412983549146)
(1.0, -39706.777576406523, 0.0018548326401168769)
(0.5, -39706.777576512839, 0.0018548325790036513)
(0.25, -39706.777576566019, 0.001854832548447094)
(0.125, -39706.777576592569, 0.0018548325331688709)
(0.0625, -39706.777576605884, 0.0018548325255296483)
(0.03125, -39706.777576612534, 0.001854832521710148)
(0, -39706.777576619148, 0.0018548325178905367)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13923625 0.66185483 0.19890892], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -5.03307681e-11, 1.22226328e-10, -7.18955045e-11,
0.00000000e+00, -4.62293349e-05, 5.93456059e-04,
-5.47226726e-04, 0.00000000e+00, 5.48531464e-03,
-5.48531465e-03]))
('conv_angle', 58.192473103156331)
('Site fractions', array([ 1.39236245e-01, 6.61854833e-01, 1.98908922e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41456.85409607, -37155.32835102, -44366.28787032]))
('Chem pot progress', array([ -4.03066224e-07, 2.67857104e-07, -4.96678695e-07]))
('Energy progress', 0.0)
('Driving force', -510.75338247042237)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13923625 0.66185483 0.19890892], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-91587.47238506, 5016.88029681, 94177.10432296]))
('reduced_hessian modified eigenvalues', array([ 5016.88029681, 91587.47238506, 94177.10432296]))
('NEW_L_MULTIPLIERS', array([ 8652.22727668, -26790.80199434, 568.89434453, 180.54168071,
-41456.85409607, -37155.32835102, -44366.28787031]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -7.63754566e-04, 1.85483252e-03,
-1.09107795e-03]))
('penalty', 100.0)
('old_driving_force', -39710.116275152242, 0.0018548325178905367)
('sublsum', -5.0411412983778092)
(1.0, -39710.116275159635, 0.0018548326401220949)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13923625 0.66185483 0.19890892], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -5.03329183e-11, 1.22231550e-10, -7.18985763e-11,
0.00000000e+00, -4.62293349e-05, 5.93456059e-04,
-5.47226726e-04, 0.00000000e+00, 5.48531464e-03,
-5.48531465e-03]))
('conv_angle', 58.19247310311674)
('Site fractions', array([ 1.39236245e-01, 6.61854833e-01, 1.98908922e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41456.85409607, -37155.32835102, -44366.28787031]))
('Chem pot progress', array([ 2.18278728e-09, -1.45519152e-09, 2.72120815e-09]))
('Energy progress', 7.031267159618437e-07)
('Driving force', -510.75338250214554)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13923625 0.66185483 0.19890892], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9038.89040691, -26126.41095729, -41784.99266026, -37765.30139118,
-44672.2979655 ]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, -7.63754616e-04,
1.85483264e-03, -1.09107802e-03]))
('penalty', 10000)
('old_driving_force', -39672.843689233516, 0.001854832639122117)
('sublsum', -0.064041370149840127)
(1.0, -39709.972430968948, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.66 0.2 ], NP=1.0)])
('step', array([ 7.63754616e-04, -1.85483264e-03, 1.09107802e-03,
0.00000000e+00, 5.49212434e-17]))
('conv_angle', 51.463653664590616)
('Site fractions', array([ 0.14, 0.66, 0.2 , 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41784.99266026, -37765.30139118, -44672.2979655 ]))
('Chem pot progress', array([-328.13856419, -609.97304016, -306.01009519]))
('Energy progress', -10.638218882348156)
('Driving force', -0.51494725391239626)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14 0.66 0.2 ], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9039.36948615, -26126.42527405, -41785.59968014, -37765.77858805,
-44672.8730382 ]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -39709.972430968948, 5.5511151231257827e-17)
('sublsum', 8.0779356694631636e-29)
(1.0, -39709.972430968948, 5.5511151231257827e-17)
(0.5, -39709.972430968948, 5.5511151231257827e-17)
(0.25, -39709.972430968948, 5.5511151231257827e-17)
(0.125, -39709.972430968948, 5.5511151231257827e-17)
(0.0625, -39709.972430968948, 5.5511151231257827e-17)
(0.03125, -39709.972430968948, 5.5511151231257827e-17)
(0, -39709.972430968948, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.66 0.2 ], NP=1.0)])
('step', array([ -7.77156117e-18, -3.66373598e-17, -1.11022302e-17,
0.00000000e+00, 5.55111512e-17]))
('conv_angle', 99.413663230392231)
('Site fractions', array([ 0.14, 0.66, 0.2 , 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41785.59968014, -37765.77858805, -44672.8730382 ]))
('Chem pot progress', array([-0.60701988, -0.47719687, -0.57507269]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14 0.66 0.2 ], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9039.36948615, -26126.42527405, -41785.59968014, -37765.77858805,
-44672.8730382 ]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -39709.972430968948, 5.5511151231257827e-17)
('sublsum', 8.0779356694631636e-29)
(1.0, -39709.972430968948, 5.5511151231257827e-17)
(0.5, -39709.972430968948, 5.5511151231257827e-17)
(0.25, -39709.972430968948, 5.5511151231257827e-17)
(0.125, -39709.972430968948, 5.5511151231257827e-17)
(0.0625, -39709.972430968948, 5.5511151231257827e-17)
(0.03125, -39709.972430968948, 5.5511151231257827e-17)
(0, -39709.972430968948, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.66 0.2 ], NP=1.0)])
('step', array([ -7.77156117e-18, -3.66373598e-17, -1.11022302e-17,
0.00000000e+00, 5.55111512e-17]))
('conv_angle', 99.413663230392231)
('Site fractions', array([ 0.14, 0.66, 0.2 , 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41785.59968014, -37765.77858805, -44672.8730382 ]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.14 0.66 0.2 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14 0.66 0.2 ], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.14 0.66 0.2 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14 0.66 0.2 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14000002 0.65999996 0.20000002], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14 0.66 0.2 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.13999999 0.66000002 0.19999999], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.13999999 0.66000001 0.2 ], NP=1.0), -1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.7761329421385665), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.22386705786143352)])
('reduced_hessian eigenvalues', array([ 3.23135949e+02, 3.48828940e+14, 1.03990778e+15]))
('NEW_L_MULTIPLIERS', array([ 37240.53218644, -118914.72432417, -24162.44746285,
110243.15105812, -45495.64831781, -36746.98850399,
-78757.54411988]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 0.00000000e+00, -1.99922887e-16,
0.00000000e+00, 2.53071310e-02, 1.30700393e-01,
-1.56007524e-01]))
('penalty', 10000)
('old_driving_force', -41705.81297139189, 0.15600752423291614)
('sublsum', 2523.7690338783832)
(1.0, -39714.63880785081, 0.34000000000099995)
(0.5, -39714.63880785081, 0.34000000000099995)
(0.25, -40062.325178524618, 0.33682846324023663)
(0.125, -41334.181711640631, 0.20357933711652287)
(0.0625, -41785.334535609814, 0.15034207266358632)
('alpha', 0.0625)
('Phases', [CompositionSet(BCC_A2, [ 0.11322346 0.79695477 0.08982177], NP=0.9981759561538515), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0018240438461485098)])
('step', array([ -7.71634281e-01, 1.06599301e+00, -2.94358728e-01,
0.00000000e+00, -4.62030716e-10, 9.81577049e-10,
-5.19545934e-10, 0.00000000e+00, 3.55268822e+00,
-3.55268822e+00]))
('conv_angle', 90.170299237283658)
('Site fractions', array([ 1.13223460e-01, 7.96954774e-01, 8.98217662e-02,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 0.99817596, 0.00182404]))
('Chemical potentials', array([-45495.64831781, -36746.98850399, -78757.54411988]))
('Chem pot progress', array([ 2.15710746e+02, 6.82338239e-02, -3.45924846e+04]))
('Energy progress', 833.7049166375873)
('Driving force', 2912.2118442387582)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.11322346 0.79695477 0.08982177], NP=0.9981759561538515), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0018240438461485098)])
('reduced_hessian eigenvalues', array([ -2.35341564e+03, 3.05906324e+12, 9.17718879e+12]))
('reduced_hessian modified eigenvalues', array([ 2.35341471e+03, 3.05906324e+12, 9.17718879e+12]))
('NEW_L_MULTIPLIERS', array([ -1661.69412364, -5710.49680528, 4956.99278127, -22647.4167073 ,
-36707.66313637, -33445.90905461, -49739.27515701]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, 1.30169352e-02, 1.37325137e-01,
-1.50342073e-01]))
('penalty', 10000)
('old_driving_force', -37990.381657573234, 0.15034207266358632)
('sublsum', 819.28847305482486)
(1.0, -36636.143411218742, 0.18841121343395428)
(0.5, -38201.707905394469, 0.11576537208276017)
('alpha', 0.5)
('Phases', [CompositionSet(BCC_A2, [ 0.14537883 0.658809 0.19581217], NP=0.6572114326216143), CompositionSet(HCP_A3, [ 5.83389208e-09 9.99999989e-01 5.17696574e-09], NP=0.3427885673777038)])
('step', array([ 6.43107364e-02, -2.76291543e-01, 2.11980806e-01,
0.00000000e+00, 1.16657842e-08, -2.20197155e-08,
1.03519315e-08, 0.00000000e+00, -6.81929047e-01,
6.81929047e-01]))
('conv_angle', 91.229383788133205)
('Site fractions', array([ 1.45378828e-01, 6.58809003e-01, 1.95812169e-01,
1.00000000e+00, 5.83389208e-09, 9.99999989e-01,
5.17696574e-09, 1.00000000e+00]))
('Phase fractions', array([ 0.65721143, 0.34278857]))
('Chemical potentials', array([-36707.66313637, -33445.90905461, -49739.27515701]))
('Chem pot progress', array([ 8787.98518145, 3301.07944938, 29018.26896287]))
('Energy progress', -98.76569164320972)
('Driving force', -2834.5230196941557)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14537883 0.658809 0.19581217], NP=0.6572114326216143), CompositionSet(HCP_A3, [ 5.83389208e-09 9.99999989e-01 5.17696574e-09], NP=0.3427885673777038)])
('reduced_hessian eigenvalues', array([ -8.42836252e+02, 1.22570718e+11, 3.57445187e+11]))
('reduced_hessian modified eigenvalues', array([ 8.42836234e+02, 1.22570718e+11, 3.57445187e+11]))
('NEW_L_MULTIPLIERS', array([ 7685.06715444, -27985.03448759, 1247.60460721, 1141.81926487,
-45402.77254955, -37248.22772633, -38002.65776378]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 9.99976771e-13,
0.00000000e+00, -4.45537020e-03, 1.15765372e-01,
-1.11310002e-01]))
('penalty', 10000)
('old_driving_force', -36493.868096799757, 0.11576537208276017)
('sublsum', -1047.5971319199084)
(1.0, -39333.431359346054, 0.026786998882189342)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.073213 0.66793956 0.25884743], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 9.99999988e-01 1.32528473e-08], NP=1e-12)])
('step', array([ -7.21658268e-02, 9.13056227e-03, 6.30352646e-02,
0.00000000e+00, -7.20816564e-09, -8.68715863e-10,
8.07588152e-09, 0.00000000e+00, 3.56885400e-01,
-3.56885400e-01]))
('conv_angle', 87.784739302612579)
('Site fractions', array([ 7.32130011e-02, 6.67939565e-01, 2.58847434e-01,
1.00000000e+00, 1.00000000e-12, 9.99999988e-01,
1.32528473e-08, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-45402.77254955, -37248.22772633, -38002.65776378]))
('Chem pot progress', array([ -8695.10941319, -3802.31867171, 11736.61739323]))
('Energy progress', -976.0862227231264)
('Driving force', -1624.4259313993025)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.073213 0.66793956 0.25884743], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 9.99999988e-01 1.32528473e-08], NP=1e-12)])
('reduced_hessian eigenvalues', array([-75462.78837169, 1589.37697417, 79280.17981726]))
('reduced_hessian modified eigenvalues', array([ 1589.37697417, 75462.78837169, 79280.17981726]))
('NEW_L_MULTIPLIERS', array([ 8709.73573798, -26890.34981903, 415.18091415, 170.01429839,
-43389.06718142, -37137.43616217, -43310.83690029]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 1.37527356e-09,
0.00000000e+00, -2.67869989e-02, 7.93956496e-03,
1.88474339e-02]))
('penalty', 10000)
('old_driving_force', -39180.324316046841, 0.026786998882189342)
('sublsum', -82.607658012276147)
(1.0, -39682.096647149796, 0.0044415473291410457)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.09962129 0.66171767 0.23866104], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 9.98165986e-01 6.27556098e-03], NP=1e-12)])
('step', array([ 0.02640829, -0.00622189, -0.02018639, 0. , -0.00444155,
-0.001834 , 0.00627555, 0. , 0.00517277, -0.00517277]))
('conv_angle', 33.829391882754607)
('Site fractions', array([ 9.96212863e-02, 6.61717671e-01, 2.38661043e-01,
1.00000000e+00, 1.00000000e-12, 9.98165986e-01,
6.27556098e-03, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-43389.06718142, -37137.43616217, -43310.83690029]))
('Chem pot progress', array([ 2013.70536813, 110.79156416, -5308.17913651]))
('Energy progress', -83.43335861615196)
('Driving force', -514.80605121264671)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.09962129 0.66171767 0.23866104], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 9.98165986e-01 6.27556098e-03], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -8.29224065e+04, 1.29760470e+01, 8.71428748e+04]))
('reduced_hessian modified eigenvalues', array([ 1.29760470e+01, 8.29224065e+04, 8.71428748e+04]))
('NEW_L_MULTIPLIERS', array([ 8678.96003723, -27070.51736838, 303.36191791, 212.91873554,
-43783.31412212, -37047.94919171, -43299.80777459]))
('L_CONSTRAINTS', array([ 1.38777878e-16, 0.00000000e+00, 4.44154733e-03,
0.00000000e+00, -3.78713728e-04, 1.71767089e-03,
-1.33895716e-03]))
('penalty', 10000)
('old_driving_force', -39681.888246151466, 0.0044415473291410457)
('sublsum', -3.6761645605137545)
(1.0, -39642.135885256706, 0.0076579632945455167)
(0.5, -39662.012806087558, 0.0060497553118432773)
(0.25, -39671.950711094076, 0.0052456513204921056)
(0.125, -39676.919524851284, 0.0048435993248165769)
(0.0625, -39679.403897056618, 0.0046425733269788664)
(0.03125, -39680.646074492608, 0.0045420603280599565)
(0, -39681.888246151466, 0.0044415473291410457)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.09962129 0.66171767 0.23866104], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 9.98165986e-01 6.27556098e-03], NP=1e-12)])
('step', array([-0.00026685, 0.00043398, -0.00016713, 0. , -0.00765796,
-0.07549741, 0.07871383, 0. , 0.00648021, -0.00645155]))
('conv_angle', 87.783502823611059)
('Site fractions', array([ 9.96212863e-02, 6.61717671e-01, 2.38661043e-01,
1.00000000e+00, 1.00000000e-12, 9.98165986e-01,
6.27556098e-03, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-43783.31412212, -37047.94919171, -43299.80777459]))
('Chem pot progress', array([-394.24694069, 89.48697046, 11.0291257 ]))
('Energy progress', 0.0)
('Driving force', -537.37799618189456)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 9.98165986e-01 6.27556098e-03], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.09962129 0.66171767 0.23866104], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9084.97329697, -26352.15752063, -44146.48688264, -37693.05176491,
-43609.10515191]))
('L_CONSTRAINTS', array([ 1.38777878e-16, 0.00000000e+00, -3.78713728e-04,
1.71767088e-03, -1.33895716e-03]))
('penalty', 1000.0)
('old_driving_force', -39755.317999592073, 0.0017176708842112642)
('sublsum', -0.051147665976615866)
(1.0, -39758.778994181819, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.1 0.66 0.24], NP=1.0)])
('step', array([ 3.78713728e-04, -1.71767088e-03, 1.33895716e-03,
0.00000000e+00, 5.52047073e-17]))
('conv_angle', 50.856589539656547)
('Site fractions', array([ 0.1 , 0.66, 0.24, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-44146.48688264, -37693.05176491, -43609.10515191]))
('Chem pot progress', array([-363.17276053, -645.10257321, -309.29737732]))
('Energy progress', -10.39099931238161)
('Driving force', -0.53090461585088633)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1 0.66 0.24], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9085.47243115, -26352.1733375 , -44147.05661736, -37693.54223974,
-43609.73105923]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -39758.778994181819, 0.0)
('sublsum', 0.0)
(1.0, -39758.778994181819, 0.0)
(0.5, -39758.778994181819, 0.0)
(0.25, -39758.778994181819, 0.0)
(0.125, -39758.778994181819, 0.0)
(0.0625, -39758.778994181819, 0.0)
(0.03125, -39758.778994181819, 0.0)
(0, -39758.778994181819, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.1 0.66 0.24], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.1 , 0.66, 0.24, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-44147.05661736, -37693.54223974, -43609.73105923]))
('Chem pot progress', array([-0.56973472, -0.49047483, -0.62590732]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1 0.66 0.24], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9085.47243115, -26352.1733375 , -44147.05661736, -37693.54223974,
-43609.73105923]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 1000.0)
('old_driving_force', -39758.778994181819, 0.0)
('sublsum', 0.0)
(1.0, -39758.778994181819, 0.0)
(0.5, -39758.778994181819, 0.0)
(0.25, -39758.778994181819, 0.0)
(0.125, -39758.778994181819, 0.0)
(0.0625, -39758.778994181819, 0.0)
(0.03125, -39758.778994181819, 0.0)
(0, -39758.778994181819, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.1 0.66 0.24], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.1 , 0.66, 0.24, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-44147.05661736, -37693.54223974, -43609.73105923]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.09999997 0.66000005 0.23999998], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.1 0.65999992 0.24000008], NP=1.0), -6.548361852765083e-11), (CompositionSet(BCC_A2, [ 0.09999996 0.66000008 0.23999996], NP=1.0), -8.731149137020111e-11), (CompositionSet(BCC_A2, [ 0.10000002 0.65999992 0.24000006], NP=1.0), -6.548361852765083e-11), (CompositionSet(BCC_A2, [ 0.1 0.66 0.24], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.1 0.66 0.24], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.1 0.66 0.24], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.09999999 0.66000004 0.23999997], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.09999997 0.66000004 0.23999999], NP=1.0), -2.1827872842550278e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.6412499957976975), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.3587499949710376), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=9.231265088027307e-09)])
('reduced_hessian eigenvalues', array([ -3.34807874e-02, 1.74103371e-01, 7.32449984e+03,
3.64863987e+13, 3.71844592e+14, 5.68815695e+14,
1.12519153e+15, 1.63515816e+15]))
('reduced_hessian modified eigenvalues', array([ -1.74387052e-02, 1.19000288e-01, 7.32435140e+03,
3.64863987e+13, 3.71844592e+14, 5.68815695e+14,
1.12519153e+15, 1.63515816e+15]))
('NEW_L_MULTIPLIERS', array([ -3.92284282e+03, -1.42338575e+04, 3.13027364e+03,
-1.42814432e+04, 1.15984220e-04, -1.81964073e-04,
-4.19788189e+04, -3.67471662e+04, -3.80386710e+04]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.99922887e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, -2.06795153e-25]))
('penalty', 10000)
('old_driving_force', -38510.391210318441, 1.9992288680364425e-16)
('sublsum', -224.82505781301523)
(1.0, -38456.127151434943, 0.0048550699438995037)
(0.5, -38565.853035404703, 0.0012137674859749037)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 6.26083902e-01 3.73916098e-01 1.68113512e-11], NP=0.6050087302298848), CompositionSet(HCP_A3, [ 2.01345459e-11 1.00000000e+00 2.22011499e-11], NP=0.3949912606469499), CompositionSet(BCC_A2, [ 0.52521326 0.36722255 0.10756419], NP=9.123165391156508e-09)])
('step', array([ 1.00473929e-01, -1.00473929e-01, 3.36698806e-11,
1.76943603e-11, -4.52226171e-11, 2.75283458e-11,
3.82690919e-11, -8.06712195e-11, 4.24022998e-11,
0.00000000e+00, 7.27525313e-01, -7.26215315e-01,
-1.30999875e-03, 0.00000000e+00, -7.24825311e-02,
7.24825314e-02, -2.16199394e-10]))
('conv_angle', 89.902188881479333)
('Site fractions', array([ 9.39125853e-01, 6.08741466e-02, 1.78349403e-11,
9.84718015e-12, 1.00000000e+00, 1.47641729e-11,
2.01345459e-11, 1.00000000e+00, 2.22011499e-11,
1.00000000e+00, 5.25213259e-01, 3.67222554e-01,
1.07564187e-01, 1.00000000e+00]))
('Phase fractions', array([ 6.05008730e-01, 3.94991261e-01, 9.12316539e-09]))
('Chemical potentials', array([-41978.81886359, -36747.16624953, -38038.67095306]))
('Chem pot progress', array([ -5.91408275e+02, -1.09511710e-01, 1.25772233e+04]))
('Energy progress', -73.387164965221018)
('Driving force', 145.06585380738397)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.26083902e-01 3.73916098e-01 1.68113512e-11], NP=0.6050087302298848), CompositionSet(HCP_A3, [ 2.01345459e-11 1.00000000e+00 2.22011499e-11], NP=0.3949912606469499), CompositionSet(BCC_A2, [ 0.52521326 0.36722255 0.10756419], NP=9.123165391156508e-09)])
('reduced_hessian eigenvalues', array([ 2.00381342e-03, 1.60625868e-02, 1.38368530e+04,
2.52563877e+12, 4.01564907e+13, 4.45427879e+13,
1.16780833e+14, 1.29213450e+14]))
('NEW_L_MULTIPLIERS', array([ -4.13412432e+03, -1.44756202e+04, 2.94594901e+03,
-1.34411317e+04, -8.80150847e-06, 8.33583228e-05,
-4.16286675e+04, -3.67470568e+04, -3.79468893e+04]))
('L_CONSTRAINTS', array([ -5.01106132e-17, -1.28016709e-16, -9.09260461e-17,
0.00000000e+00, -6.93889390e-17, 0.00000000e+00,
-1.21376749e-03, 1.21376749e-03, 2.66145541e-13]))
('penalty', 10000)
('old_driving_force', -38565.428165896024, 0.0012137674859749037)
('sublsum', -15.393979425015637)
(1.0, -38593.384893620394, 0.00014401570305599964)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39335916e-01 3.60664084e-01 3.79021065e-10], NP=0.594141481220147), CompositionSet(HCP_A3, [ 4.14923931e-10 9.99999999e-01 5.15843914e-10], NP=0.40585852313105697), CompositionSet(BCC_A2, [ 0.54099118 0.238007 0.22100182], NP=1e-12)])
('step', array([ 1.98780204e-02, -1.98780208e-02, 4.06212733e-10,
1.11791449e-10, -3.85995014e-10, 2.74203676e-10,
3.94789385e-10, -8.88432062e-10, 4.93642764e-10,
0.00000000e+00, 1.57779210e-02, -1.29215550e-01,
1.13437629e-01, 0.00000000e+00, -1.08672490e-02,
1.08672625e-02, -1.34743693e-08]))
('conv_angle', 89.955221831626346)
('Site fractions', array([ 9.59003874e-01, 4.09961258e-02, 4.24047673e-10,
1.21638629e-10, 1.00000000e+00, 2.88967849e-10,
4.14923931e-10, 9.99999999e-01, 5.15843914e-10,
1.00000000e+00, 5.40991180e-01, 2.38007004e-01,
2.21001816e-01, 1.00000000e+00]))
('Phase fractions', array([ 5.94141481e-01, 4.05858523e-01, 1.00000000e-12]))
('Chemical potentials', array([-41628.66752925, -36747.05684134, -37946.88926999]))
('Chem pot progress', array([ 3.50151334e+02, 1.09408183e-01, 9.17816831e+01]))
('Energy progress', -11.783943538030144)
('Driving force', 5.8037349069709308)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39335916e-01 3.60664084e-01 3.79021065e-10], NP=0.594141481220147), CompositionSet(HCP_A3, [ 4.14923931e-10 9.99999999e-01 5.15843914e-10], NP=0.40585852313105697), CompositionSet(BCC_A2, [ 0.54099118 0.238007 0.22100182], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -5.10105820e-04, 7.71376786e-05, 2.15329423e+04,
4.08281608e+11, 2.06834147e+12, 2.29282951e+12,
5.32762467e+12, 8.70745753e+12]))
('reduced_hessian modified eigenvalues', array([ 1.04252655e-04, 6.18632451e-04, 2.15329403e+04,
4.08281608e+11, 2.06834147e+12, 2.29282951e+12,
5.32762467e+12, 8.70745753e+12]))
('NEW_L_MULTIPLIERS', array([ -4.14017748e+03, -1.44927726e+04, 2.93071723e+03,
-1.33716323e+04, -3.84820232e-04, 1.54280819e-03,
-4.16148728e+04, -3.67470604e+04, 6.67978086e+04]))
('L_CONSTRAINTS', array([ -1.28479398e-17, -1.11516507e-16, -8.90615181e-18,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-1.44010786e-04, 1.44015703e-04, -5.65227212e-10]))
('penalty', 10000)
('old_driving_force', -38593.382847322078, 0.00014401570305599964)
('sublsum', -0.54682360819496467)
(1.0, -38596.460825891481, 4.2453778918982721e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37320099e-01 3.62679888e-01 1.30831066e-08], NP=0.5962400998823186), CompositionSet(HCP_A3, [ 7.05065950e-09 9.99999975e-01 1.74580874e-08], NP=0.40375996282088006), CompositionSet(BCC_A2, [ 1.00000000e+00 1.00000000e-12 1.00000000e-12], NP=1e-12)])
('step', array([ -3.02372548e-03, 3.02371083e-03, 1.46521246e-08,
1.10926697e-09, -9.91727424e-09, 8.80800738e-09,
6.63573557e-09, -2.35779791e-08, 1.69422435e-08,
0.00000000e+00, 1.82338644e+00, -9.01318339e-01,
-9.22068103e-01, 0.00000000e+00, 2.09861866e-03,
-2.09856031e-03, -6.27041986e-08]))
('conv_angle', 89.999909598924532)
('Site fractions', array([ 9.55980148e-01, 4.40198367e-02, 1.50761723e-08,
1.23090560e-09, 9.99999990e-01, 9.09697523e-09,
7.05065950e-09, 9.99999975e-01, 1.74580874e-08,
1.00000000e+00, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 5.96240100e-01, 4.03759963e-01, 1.00000000e-12]))
('Chemical potentials', array([-41614.87282597, -36747.06036669, 66797.8086324 ]))
('Chem pot progress', array([ 1.37947033e+01, -3.52534241e-03, 1.04744698e+05]))
('Energy progress', -0.963506853688159)
('Driving force', 0.28360938079276821)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37320099e-01 3.62679888e-01 1.30831066e-08], NP=0.5962400998823186), CompositionSet(HCP_A3, [ 7.05065950e-09 9.99999975e-01 1.74580874e-08], NP=0.40375996282088006), CompositionSet(BCC_A2, [ 1.00000000e+00 1.00000000e-12 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -1.31751459e+05, 4.53699074e+03, 1.98504861e+04,
1.38063909e+05, 7.56127012e+10, 9.15552062e+10,
2.48825025e+11, 7.75680512e+11]))
('reduced_hessian modified eigenvalues', array([ 4.53699073e+03, 1.98504861e+04, 1.31751459e+05,
1.38063909e+05, 7.56127012e+10, 9.15552062e+10,
2.48825025e+11, 7.75680512e+11]))
('NEW_L_MULTIPLIERS', array([ -6180.3093512 , -15275.39174163, 3332.34120988,
-12855.47173698, 4485.45026148, 300.46491369,
-33323.53134444, -37896.04096027, -159487.81666027]))
('L_CONSTRAINTS', array([ 9.43999823e-17, 6.03989946e-17, -9.48528902e-17,
0.00000000e+00, 2.00000000e-12, 0.00000000e+00,
-4.19652324e-06, 4.24537789e-06, 1.38495495e-08]))
('penalty', 10000)
('old_driving_force', -38596.418019282428, 4.2453778918982721e-06)
('sublsum', -327.86881312679003)
(1.0, -38503.832448732392, 0.028117665695664318)
(0.5, -38552.169484452061, 0.013986036523976453)
(0.25, -38574.831382688331, 0.0069732454848081549)
(0.125, -38585.818350215377, 0.0034801058518930117)
(0.0625, -38591.171924641494, 0.0017368500071027193)
(0.03125, -38593.838062948074, 0.00086605057762445536)
(0, -38596.418019282428, 4.2453778918982721e-06)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37320099e-01 3.62679888e-01 1.30831066e-08], NP=0.5962400998823186), CompositionSet(HCP_A3, [ 7.05065950e-09 9.99999975e-01 1.74580874e-08], NP=0.40375996282088006), CompositionSet(BCC_A2, [ 1.00000000e+00 1.00000000e-12 1.00000000e-12], NP=1e-12)])
('step', array([ 1.16483103e-02, -1.16483255e-02, 1.51203874e-08,
1.04470711e-08, 1.22353084e-08, -2.26823795e-08,
1.00557403e-07, -6.17265526e-08, -3.88308499e-08,
0.00000000e+00, -3.19081326e-03, 1.00086823e-02,
-6.81786900e-03, 0.00000000e+00, 3.64163956e-02,
-8.58158488e-03, -2.78348734e-02]))
('conv_angle', 81.954201958362091)
('Site fractions', array([ 9.55980148e-01, 4.40198367e-02, 1.50761723e-08,
1.23090560e-09, 9.99999990e-01, 9.09697523e-09,
7.05065950e-09, 9.99999975e-01, 1.74580874e-08,
1.00000000e+00, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 5.96240100e-01, 4.03759963e-01, 1.00000000e-12]))
('Chemical potentials', array([ -33323.53134444, -37896.04096027, -159487.81666027]))
('Chem pot progress', array([ 8291.34148152, -1148.98059359, -226285.62529267]))
('Energy progress', 0.0)
('Driving force', -2438.015144379322)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37320099e-01 3.62679888e-01 1.30831066e-08], NP=0.5962400998823186), CompositionSet(HCP_A3, [ 7.05065950e-09 9.99999975e-01 1.74580874e-08], NP=0.40375996282088006), CompositionSet(BCC_A2, [ 1.00000000e+00 1.00000000e-12 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -7.62701198e+04, 4.22984733e+03, 2.25870169e+04,
8.05404516e+04, 7.56127071e+10, 9.15552322e+10,
2.48824985e+11, 7.75680518e+11]))
('reduced_hessian modified eigenvalues', array([ 4.22984734e+03, 2.25870169e+04, 7.62701198e+04,
8.05404516e+04, 7.56127071e+10, 9.15552322e+10,
2.48824985e+11, 7.75680518e+11]))
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('L_CONSTRAINTS', array([ 9.43999823e-17, 6.03989946e-17, -9.48528902e-17,
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('sublsum', -567.06753565584381)
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('Energy progress', -1992.7373347775865)
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('Energy progress', 1989.9356671599671)
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('old_driving_force', -38582.603867610131, 0.00067252769876824381)
('sublsum', -1.2466251929331171)
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('Phases', [CompositionSet(LAVES_C15, [ 6.37403753e-01 3.62596246e-01 1.53953983e-09], NP=0.596155067742873), CompositionSet(HCP_A3, [ 1.14998006e-05 9.99988500e-01 2.01126996e-10], NP=0.403844932257127)])
('step', array([ -4.02870119e-03, 4.02870200e-03, -8.06972921e-10,
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('Chem pot progress', array([ -1.24743101e+02, -5.72489454e-01, -5.54805473e+03]))
('Energy progress', 2.5739703606523108)
('Driving force', 0.3319261227370589)
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('penalty', 10000)
('old_driving_force', -38596.694826037863, 3.8773836535943573e-06)
('sublsum', -1.1555934924817237)
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('alpha', 1.0)
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('conv_angle', 78.445542888309973)
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('Phase fractions', array([ 0.59624533, 0.40375467]))
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('Driving force', 0.24847462646721397)
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('NEW_L_MULTIPLIERS', array([ -4141.41438799, -14484.53082671, 2939.81974544,
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('L_CONSTRAINTS', array([ 1.11424248e-17, -5.06600660e-17, 6.41509226e-17,
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('penalty', 10000)
('old_driving_force', -38597.679140201697, 1.8302675597325901e-08)
('sublsum', -3.557618370516773)
(1.0, -38600.330174697585, 6.2849067505865719e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37329691e-01 3.62670308e-01 1.33492410e-09], NP=0.5959917947390679), CompositionSet(HCP_A3, [ 3.88099928e-04 9.99611900e-01 5.06029442e-10], NP=0.4040082052609322)])
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3.09371960e-04, -3.09372063e-04, 1.03424206e-10,
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('conv_angle', 58.002106396611325)
('Site fractions', array([ 9.55994063e-01, 4.40059351e-02, 1.99062263e-09,
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('Phase fractions', array([ 0.59599179, 0.40400821]))
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('Chem pot progress', array([ 4.67207199, -8.20110396, -388.20699328]))
('Energy progress', -2.652318924330757)
('Driving force', 0.90584693134587724)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37329691e-01 3.62670308e-01 1.33492410e-09], NP=0.5959917947390679), CompositionSet(HCP_A3, [ 3.88099928e-04 9.99611900e-01 5.06029442e-10], NP=0.4040082052609322)])
('reduced_hessian eigenvalues', array([ 1.98980519e+04, 2.91882050e+06, 7.22353026e+08,
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('NEW_L_MULTIPLIERS', array([ -4140.26374613, -14467.24577836, 2956.12570955,
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('L_CONSTRAINTS', array([ 5.09362159e-17, -2.23951997e-17, 1.15652040e-18,
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('penalty', 10000)
('old_driving_force', -38600.330175995456, 6.2849067505865719e-08)
('sublsum', -6.2185935728671478)
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('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37428442e-01 3.62571556e-01 1.32660912e-09], NP=0.5953223477553488), CompositionSet(HCP_A3, [ 1.29768702e-03 9.98702312e-01 5.19560606e-10], NP=0.4046776522446513)])
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('conv_angle', 55.761803074929418)
('Site fractions', array([ 9.56142127e-01, 4.38578707e-02, 1.97820970e-09,
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('Phase fractions', array([ 0.59532235, 0.40467765]))
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('Chem pot progress', array([ 7.48916659, -13.16150644, -45.6721058 ]))
('Energy progress', -4.308069663515198)
('Driving force', 1.91434405156906)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37428442e-01 3.62571556e-01 1.32660912e-09], NP=0.5953223477553488), CompositionSet(HCP_A3, [ 1.29768702e-03 9.98702312e-01 5.19560606e-10], NP=0.4046776522446513)])
('reduced_hessian eigenvalues', array([ 1.99152858e+04, 8.69002503e+05, 6.36826104e+08,
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('NEW_L_MULTIPLIERS', array([ -4135.30596146, -14442.39037983, 2976.48183043,
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('L_CONSTRAINTS', array([ 3.93851883e-17, 2.13714388e-17, 1.00279074e-16,
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('penalty', 10000)
('old_driving_force', -38604.626335462817, 5.4281140016154694e-07)
('sublsum', -4.9411975179168222)
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('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37484334e-01 3.62515665e-01 1.32567600e-09], NP=0.5943235694986405), CompositionSet(HCP_A3, [ 2.78414793e-03 9.97215852e-01 5.22889054e-10], NP=0.4056764305013596)])
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('conv_angle', 54.425350546502656)
('Site fractions', array([ 9.56225959e-01, 4.37740393e-02, 1.97680647e-09,
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('Phase fractions', array([ 0.59432357, 0.40567643]))
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('Chem pot progress', array([ 4.26740334, -7.50517247, -0.18708215]))
('Energy progress', -3.0945075118434033)
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('reduced_hessian eigenvalues', array([ 1.98795330e+04, 4.03229286e+05, 6.29564448e+08,
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('NEW_L_MULTIPLIERS', array([ -4130.16033113, -14426.06507948, 2988.0585604 ,
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('L_CONSTRAINTS', array([ -7.48068687e-18, -1.13265355e-16, -1.22562725e-16,
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('old_driving_force', -38607.698851732515, 1.4288219883917819e-06)
('sublsum', -1.1959881692842096)
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('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37472142e-01 3.62527857e-01 1.32545780e-09], NP=0.5936465681547988), CompositionSet(HCP_A3, [ 3.85768767e-03 9.96142312e-01 5.24537931e-10], NP=0.4063534318452013)])
('step', array([ -1.82871435e-05, 1.82871438e-05, -3.22802375e-13,
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('conv_angle', 53.82041421896961)
('Site fractions', array([ 9.56207672e-01, 4.37923265e-02, 1.97648367e-09,
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('Chem pot progress', array([-0.92524964, 1.62614118, -2.29739762]))
('Energy progress', -0.6597766109189251)
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('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37472142e-01 3.62527857e-01 1.32545780e-09], NP=0.5936465681547988), CompositionSet(HCP_A3, [ 3.85768767e-03 9.96142312e-01 5.24537931e-10], NP=0.4063534318452013)])
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('NEW_L_MULTIPLIERS', array([ -4128.85666308, -14422.74080308, 2990.16155787,
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('old_driving_force', -38608.375845835239, 7.3504153652592663e-07)
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('Energy progress', -0.01695560430380283)
('Driving force', 0.019743668097362388)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37462979e-01 3.62537020e-01 1.32546081e-09], NP=0.5935058608621155), CompositionSet(HCP_A3, [ 4.08866594e-03 9.95911334e-01 5.24807761e-10], NP=0.40649413913788457)])
('reduced_hessian eigenvalues', array([ 1.97981732e+04, 2.73912414e+05, 6.29069129e+08,
2.31484890e+12, 3.67601008e+13]))
('NEW_L_MULTIPLIERS', array([ -4128.81418798, -14422.64105157, 2990.22094241,
-13403.79617655, -41597.40566438, -36776.44618605,
-172301.42676015]))
('L_CONSTRAINTS', array([ -5.02996011e-17, -5.58582096e-17, 7.83950737e-18,
0.00000000e+00, 3.37896509e-08, -3.37896509e-08,
3.75324855e-17]))
('penalty', 10000)
('old_driving_force', -38608.41020712805, 3.378965085509833e-08)
('sublsum', -3.5395778644385807e-05)
(1.0, -38608.41089999504, 3.1706415271059996e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37462613e-01 3.62537386e-01 1.32546162e-09], NP=0.5935016045088425), CompositionSet(HCP_A3, [ 4.09574915e-03 9.95904250e-01 5.24814865e-10], NP=0.4064983954911575)])
('step', array([ -5.48947655e-07, 5.48947654e-07, 1.29023762e-15,
-1.13386705e-11, 1.13388672e-11, -1.40815905e-16,
7.08320140e-06, -7.08320141e-06, 7.10386328e-15,
0.00000000e+00, -4.25635327e-06, 4.25635327e-06]))
('conv_angle', 53.481873819709058)
('Site fractions', array([ 9.56193378e-01, 4.38066200e-02, 1.97649139e-09,
1.08272661e-06, 9.99998917e-01, 2.34020834e-11,
4.09574915e-03, 9.95904250e-01, 5.24814865e-10,
1.00000000e+00]))
('Phase fractions', array([ 0.5935016, 0.4064984]))
('Chemical potentials', array([ -41597.40566438, -36776.44618605, -172301.42676015]))
('Chem pot progress', array([-0.02777251, 0.04880907, -0.02853995]))
('Energy progress', 0.00014503758575301617)
('Driving force', 1.7892649339046329e-05)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37462613e-01 3.62537386e-01 1.32546162e-09], NP=0.5935016045088425), CompositionSet(HCP_A3, [ 4.09574915e-03 9.95904250e-01 5.24814865e-10], NP=0.4064983954911575)])
('reduced_hessian eigenvalues', array([ 1.97982348e+04, 2.73435881e+05, 6.29071294e+08,
2.31481505e+12, 3.67601279e+13]))
('NEW_L_MULTIPLIERS', array([ -4128.81415125, -14422.64096031, 2990.2209767 ,
-13403.79621628, -41597.4056896 , -36776.44614174,
-172301.42678413]))
('L_CONSTRAINTS', array([ 2.56315859e-17, 2.53704906e-17, -1.04746873e-16,
0.00000000e+00, 3.17063042e-11, -3.17064153e-11,
2.65297502e-20]))
('penalty', 10000)
('old_driving_force', -38608.41089999504, 3.1706415271059996e-11)
('sublsum', -2.6603824983690346e-11)
(1.0, -38608.410900629198, 8.5718535758206962e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37462613e-01 3.62537386e-01 1.32546162e-09], NP=0.5935016007888416), CompositionSet(HCP_A3, [ 4.09575529e-03 9.95904244e-01 5.24814870e-10], NP=0.40649839921115843)])
('step', array([ -4.39938432e-10, 4.39938404e-10, 1.79759164e-18,
-4.17962687e-15, 4.15432311e-15, -6.67238951e-20,
6.14636924e-09, -6.14636914e-09, 5.54449492e-18,
0.00000000e+00, -3.72000085e-09, 3.72000093e-09]))
('conv_angle', 53.556518116114013)
('Site fractions', array([ 9.56193378e-01, 4.38066205e-02, 1.97649139e-09,
1.08272661e-06, 9.99998917e-01, 2.34020834e-11,
4.09575529e-03, 9.95904244e-01, 5.24814870e-10,
1.00000000e+00]))
('Phase fractions', array([ 0.5935016, 0.4064984]))
('Chemical potentials', array([ -41597.4056896 , -36776.44614174, -172301.42678413]))
('Chem pot progress', array([ -2.52189275e-05, 4.43158424e-05, -2.39759975e-05]))
('Energy progress', 1.5282421372830868e-07)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.47304774942464534), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.1573320268397588), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.36962022373559594)])
('reduced_hessian eigenvalues', array([ -9.35543648e+01, 6.43099723e+03, 7.36533601e+03,
2.23852862e+14, 2.64153901e+14, 5.17347749e+14,
7.92453017e+14, 8.79767160e+14]))
('reduced_hessian modified eigenvalues', array([ 9.35204691e+01, 6.43099727e+03, 7.36526949e+03,
2.23852862e+14, 2.64153901e+14, 5.17347749e+14,
7.92453017e+14, 8.79767160e+14]))
('NEW_L_MULTIPLIERS', array([ -750.40867378, -2573.65254148, -9703.36729942, 44500.72007156,
18667.08928868, -60218.17901154, -41500.34114564, -37033.14232133,
-65242.33491191]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.99922887e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 6.93889390e-18]))
('penalty', 10000)
('old_driving_force', -38879.53054675879, 1.9992288680364425e-16)
('sublsum', -854.99195772671328)
(1.0, -30830.916632469252, 0.41901530752077831)
(0.5, -32083.887279013874, 0.49374002224903246)
(0.25, -35311.060708845485, 0.3118118834538427)
(0.125, -38369.750617693608, 0.053726664511333233)
(0.0625, -38866.338191141564, 0.0058783159437240107)
(0.03125, -38890.532550075695, 0.0014695789847465335)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 5.93308873e-01 4.06691127e-01 1.12791904e-12], NP=0.46143606425248934), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.11044566994856485), CompositionSet(BCC_A2, [ 0.15359827 0.75530988 0.09109185], NP=0.4281182657989459)])
('step', array([ 3.43814776e-02, -3.43814776e-02, 4.59718768e-12,
4.34227785e-12, -7.42797175e-12, 3.08585219e-12,
-2.72566537e-10, 5.58783439e-10, -2.86216674e-10,
0.00000000e+00, -2.51274607e-01, 7.99349426e-01,
-5.48074819e-01, 0.00000000e+00, -3.71573926e-01,
-1.50036342e+00, 1.87193735e+00]))
('conv_angle', 89.818541044691017)
('Site fractions', array([ 8.89963310e-01, 1.10036690e-01, 1.14366212e-12,
1.13569618e-12, 1.00000000e+00, 1.09643288e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.53598271e-01, 7.55309881e-01,
9.10918486e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.46143606, 0.11044567, 0.42811827]))
('Chemical potentials', array([-41500.34114564, -37033.14232133, -65242.33491191]))
('Chem pot progress', array([ -112.93055711, -286.08558352, -14626.44068166]))
('Energy progress', -10.041204240209481)
('Driving force', 760.43349541506905)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.93308873e-01 4.06691127e-01 1.12791904e-12], NP=0.46143606425248934), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.11044566994856485), CompositionSet(BCC_A2, [ 0.15359827 0.75530988 0.09109185], NP=0.4281182657989459)])
('reduced_hessian eigenvalues', array([ -3.24855722e+03, 6.28713238e+03, 7.78939277e+03,
1.78068727e+14, 2.36152857e+14, 4.92507495e+14,
6.39073959e+14, 8.14675128e+14]))
('reduced_hessian modified eigenvalues', array([ 3.24856000e+03, 6.28705314e+03, 7.78935293e+03,
1.78068727e+14, 2.36152857e+14, 4.92507495e+14,
6.39073959e+14, 8.14675128e+14]))
('NEW_L_MULTIPLIERS', array([ -2947.55428924, -10668.05750575, 782.07260734, -3477.99905099,
3969.90591896, -12515.6194547 , -42017.66924528, -36921.85448433,
-47802.59635734]))
('L_CONSTRAINTS', array([ -2.14545042e-16, -2.45422748e-16, 1.99997788e-12,
0.00000000e+00, 1.38777878e-17, 0.00000000e+00,
-4.67663242e-04, 1.46957898e-03, -1.00191574e-03]))
('penalty', 10000)
('old_driving_force', -38873.464883102337, 0.0014695789847465335)
('sublsum', -204.58890902850283)
(1.0, -38840.304355706809, 0.0043589054716861586)
(0.5, -38938.904715708537, 0.0018245158602947509)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 6.28623953e-01 3.71376047e-01 1.71671438e-11], NP=0.4439725904137195), CompositionSet(HCP_A3, [ 1.61755168e-11 1.00000000e+00 1.71862259e-11], NP=0.1078669798449872), CompositionSet(BCC_A2, [ 0.13309219 0.77891025 0.08799756], NP=0.44816042974129844)])
('step', array([ 1.05945240e-01, -1.05945240e-01, 3.43892315e-11,
1.89853867e-11, -4.64420895e-11, 2.74568858e-11,
3.03510337e-11, -6.47234859e-11, 3.23724518e-11,
0.00000000e+00, -4.10121610e-02, 4.72007308e-02,
-6.18856988e-03, 0.00000000e+00, -3.49269477e-02,
-5.15738021e-03, 4.00843279e-02]))
('conv_angle', 88.977185679864405)
('Site fractions', array([ 9.42935930e-01, 5.70640700e-02, 1.83382779e-11,
1.06283895e-11, 1.00000000e+00, 1.48248758e-11,
1.61755168e-11, 1.00000000e+00, 1.71862259e-11,
1.00000000e+00, 1.33092190e-01, 7.78910246e-01,
8.79975637e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.44397259, 0.10786698, 0.44816043]))
('Chemical potentials', array([-42017.66924528, -36921.85448433, -47802.59635734]))
('Chem pot progress', array([ -517.32809964, 111.28783701, 17439.73855457]))
('Energy progress', -73.26912330323103)
('Driving force', 114.26614504979807)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.28623953e-01 3.71376047e-01 1.71671438e-11], NP=0.4439725904137195), CompositionSet(HCP_A3, [ 1.61755168e-11 1.00000000e+00 1.71862259e-11], NP=0.1078669798449872), CompositionSet(BCC_A2, [ 0.13309219 0.77891025 0.08799756], NP=0.44816042974129844)])
('reduced_hessian eigenvalues', array([ 9.20054327e+02, 8.58123272e+03, 1.44166902e+04,
1.51579024e+13, 2.60019020e+13, 4.34253998e+13,
5.78025138e+13, 8.61965833e+13]))
('NEW_L_MULTIPLIERS', array([ -2943.50180842, -10290.79370984, -100.75708135, 354.50835343,
4839.35974882, -15718.37221966, -41622.97853494, -36747.05685213,
-51035.1080386 ]))
('L_CONSTRAINTS', array([ -1.50143433e-16, -1.54295555e-16, 9.99951346e-13,
0.00000000e+00, -4.16333634e-17, 0.00000000e+00,
-1.26154182e-03, 1.82451586e-03, -5.62974037e-04]))
('penalty', 10000)
('old_driving_force', -38940.545538074046, 0.0018245158602947509)
('sublsum', -40.780319047827241)
(1.0, -38762.71744267334, 0.017492611449302808)
(0.5, -38943.87291984383, 0.0025308571458724227)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 6.33418256e-01 3.66581744e-01 1.81589458e-10], NP=0.4333414017340917), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.04842438263049677), CompositionSet(BCC_A2, [ 0.12385215 0.80128138 0.07486647], NP=0.5182342156354736)])
('step', array([ 1.43829071e-02, -1.43829074e-02, 3.72623499e-10,
1.16285080e-10, -3.57571819e-10, 2.41286890e-10,
-3.13405422e-11, 7.44812456e-11, -4.41406686e-11,
0.00000000e+00, -1.84800864e-02, 4.47422688e-02,
-2.62621825e-02, 0.00000000e+00, -2.12623774e-02,
-1.18885194e-01, 1.40147572e-01]))
('conv_angle', 89.783944911800248)
('Site fractions', array([ 9.50127384e-01, 4.98726163e-02, 2.04650027e-10,
6.87709297e-11, 1.00000000e+00, 1.35468321e-10,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.23852147e-01, 8.01281380e-01,
7.48664724e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.4333414 , 0.04842438, 0.51823422]))
('Chemical potentials', array([-41622.97853494, -36747.05685213, -51035.1080386 ]))
('Chem pot progress', array([ 394.69071034, 174.7976322 , -3232.51168126]))
('Energy progress', -7.999008483595389)
('Driving force', -18.09779103591427)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.33418256e-01 3.66581744e-01 1.81589458e-10], NP=0.4333414017340917), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.04842438263049677), CompositionSet(BCC_A2, [ 0.12385215 0.80128138 0.07486647], NP=0.5182342156354736)])
('reduced_hessian eigenvalues', array([ 3.43974059e+02, 9.19252399e+03, 1.68896763e+04,
3.05941012e+12, 5.31260328e+12, 1.16619417e+13,
8.09055986e+13, 2.42364218e+14]))
('NEW_L_MULTIPLIERS', array([ -2712.19577057, -9494.13478865, -1111.04340428, 5069.2310308 ,
6239.13499324, -20416.21745725, -41616.10721892, -36747.05787323,
-52148.41424493]))
('L_CONSTRAINTS', array([ -1.09919532e-16, -9.34176032e-17, 1.99997788e-12,
0.00000000e+00, -8.32667268e-17, 0.00000000e+00,
-1.32922485e-03, 2.53085715e-03, -1.20163229e-03]))
('penalty', 10000)
('old_driving_force', -38945.201568424192, 0.0025308571458724227)
('sublsum', -31.718603464974265)
(1.0, -37274.040275826366, 0.16288733828878221)
(0.5, -38410.150546422854, 0.056041762702929598)
(0.25, -38933.335087697596, 0.0044603326847403313)
(0.125, -38952.285110110548, 0.0023679464826336094)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 6.33880713e-01 3.66119287e-01 5.45776840e-10], NP=0.4279877566029029), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0232379893643037), CompositionSet(BCC_A2, [ 0.12303089 0.80622475 0.07074436], NP=0.548774254032898)])
('step', array([ 5.54948255e-03, -5.54948602e-03, 3.46835247e-09,
5.98481343e-10, -2.40227349e-09, 1.80379224e-09,
-1.00793441e-10, 2.03680607e-10, -1.04887126e-10,
0.00000000e+00, -6.57002371e-03, 3.95469442e-02,
-3.29769204e-02, 0.00000000e+00, -4.28291610e-02,
-2.01491146e-01, 2.44320307e-01]))
('conv_angle', 89.879324939179568)
('Site fractions', array([ 9.50821069e-01, 4.91789305e-02, 6.38194085e-10,
1.43581098e-10, 9.99999999e-01, 3.60942351e-10,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.23030894e-01, 8.06224748e-01,
7.07443574e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.42798776, 0.02323799, 0.54877425]))
('Chemical potentials', array([-41616.10721892, -36747.05787323, -52148.41424493]))
('Chem pot progress', array([ 6.87131602e+00, -1.02109549e-03, -1.11330621e+03]))
('Energy progress', -4.87463608343387)
('Driving force', 18.944865844867309)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.33880713e-01 3.66119287e-01 5.45776840e-10], NP=0.4279877566029029), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0232379893643037), CompositionSet(BCC_A2, [ 0.12303089 0.80622475 0.07074436], NP=0.548774254032898)])
('reduced_hessian eigenvalues', array([ 2.02846576e+02, 9.26169815e+03, 1.71642063e+04,
1.18383302e+12, 1.74752464e+12, 5.28101885e+12,
3.89398270e+13, 1.16784036e+14]))
('NEW_L_MULTIPLIERS', array([ -2563.06271219, -8972.28052876, -1816.23635534, 8286.72512533,
7211.15518277, -23601.38448474, -41615.53342266, -36747.05680866,
-52831.70951986]))
('L_CONSTRAINTS', array([ -1.34327633e-16, 7.45998522e-17, 1.99997788e-12,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
-1.19062867e-03, 2.36794648e-03, -1.17731781e-03]))
('penalty', 10000)
('old_driving_force', -38953.088885148813, 0.0023679464826336094)
('sublsum', -33.758117544062628)
(1.0, -36158.815175999567, 0.2661565551339089)
(0.5, -37772.184993109804, 0.11865907956479227)
(0.25, -38501.125348012552, 0.047898474201604202)
(0.125, -38848.616309192781, 0.013265204625352855)
(0.0625, -38956.875173594606, 0.0022822025852371475)
('alpha', 0.0625)
('Phases', [CompositionSet(LAVES_C15, [ 6.34073530e-01 3.65926469e-01 1.03769958e-09], NP=0.42430551679305883), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.006146874472674348), CompositionSet(BCC_A2, [ 0.12261219 0.80918733 0.06820048], NP=0.5695476087343991)])
('step', array([ 4.62762591e-03, -4.62763558e-03, 9.67338320e-09,
1.10460797e-09, -5.37013308e-09, 4.26552503e-09,
-3.43370563e-10, 6.95666311e-10, -3.54295739e-10,
0.00000000e+00, -6.69923446e-03, 4.74013035e-02,
-4.07020691e-02, 0.00000000e+00, -5.89158370e-02,
-2.73457838e-01, 3.32373675e-01]))
('conv_angle', 89.899113633519917)
('Site fractions', array([ 9.51110295e-01, 4.88897033e-02, 1.24278054e-09,
2.12619095e-10, 9.99999999e-01, 6.27537665e-10,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.22612192e-01, 8.09187330e-01,
6.82004781e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.42430552, 0.00614687, 0.56954761]))
('Chemical potentials', array([-41615.53342266, -36747.05680866, -52831.70951986]))
('Chem pot progress', array([ 5.73796259e-01, 1.06456701e-03, -6.83295275e+02]))
('Energy progress', -2.7214475985820172)
('Driving force', 43.205740545105073)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.34073530e-01 3.65926469e-01 1.03769958e-09], NP=0.42430551679305883), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.006146874472674348), CompositionSet(BCC_A2, [ 0.12261219 0.80918733 0.06820048], NP=0.5695476087343991)])
('reduced_hessian eigenvalues', array([ 1.30072471e+02, 9.29177976e+03, 1.72771643e+04,
6.87521118e+11, 9.12233834e+11, 3.46313775e+12,
1.03082480e+13, 3.09241333e+13]))
('NEW_L_MULTIPLIERS', array([ -2403.9746343 , -8415.16861566, -2571.56388771, 11732.97556127,
8252.37392054, -27012.10266543, -41615.22281315, -36747.05629469,
-53534.06180053]))
('L_CONSTRAINTS', array([ -1.13924304e-16, 8.76780409e-17, 1.99997788e-12,
0.00000000e+00, -6.93889390e-17, 0.00000000e+00,
-1.12562223e-03, 2.28220259e-03, -1.15658036e-03]))
('penalty', 10000)
('old_driving_force', -38957.687151988015, 0.0022822025852371475)
('sublsum', -37.068525533002777)
(1.0, -34929.918336794231, 0.37288281717535643)
(0.5, -37118.484041184121, 0.18161772839835433)
(0.25, -38105.280418281473, 0.087274047518615561)
(0.125, -38570.75205822906, 0.041304067631753427)
(0.0625, -38797.025343294212, 0.018619542826574076)
(0.03125, -38908.601222400182, 0.0073523967085475928)
(0, -38957.687151988015, 0.0022822025852371475)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 6.34073530e-01 3.65926469e-01 1.03769958e-09], NP=0.42430551679305883), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.006146874472674348), CompositionSet(BCC_A2, [ 0.12261219 0.80918733 0.06820048], NP=0.5695476087343991)])
('step', array([ 4.11330157e-03, -4.11331861e-03, 1.70408052e-08,
1.47945440e-09, -8.15962121e-09, 6.68016672e-09,
-1.83795197e-09, 3.72396072e-09, -1.88800867e-09,
0.00000000e+00, -7.48818630e-03, 5.79737683e-02,
-5.04855820e-02, 0.00000000e+00, -7.81404013e-02,
-3.60427157e-01, 4.38567559e-01]))
('conv_angle', 89.915913157050085)
('Site fractions', array([ 9.51110295e-01, 4.88897033e-02, 1.24278054e-09,
2.12619095e-10, 9.99999999e-01, 6.27537665e-10,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.22612192e-01, 8.09187330e-01,
6.82004781e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.42430552, 0.00614687, 0.56954761]))
('Chemical potentials', array([-41615.22281315, -36747.05629469, -53534.06180053]))
('Chem pot progress', array([ 3.10609512e-01, 5.13970568e-04, -7.02352281e+02]))
('Energy progress', 0.0)
('Driving force', 70.381927480877494)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.34073530e-01 3.65926469e-01 1.03769958e-09], NP=0.42430551679305883), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.006146874472674348), CompositionSet(BCC_A2, [ 0.12261219 0.80918733 0.06820048], NP=0.5695476087343991)])
('reduced_hessian eigenvalues', array([ 3.33204971e+01, 9.28248056e+03, 1.72770800e+04,
6.87521118e+11, 9.12233834e+11, 3.46313775e+12,
1.03082480e+13, 3.09241333e+13]))
('NEW_L_MULTIPLIERS', array([ -832.08245596, -2910.99707116, -10005.44225238, 45650.66606601,
18509.03440456, -60632.91373212, -41613.47889061, -36747.05379365,
-60907.26436987]))
('L_CONSTRAINTS', array([ -1.13924304e-16, 8.76780409e-17, 1.99997788e-12,
0.00000000e+00, -6.93889390e-17, 0.00000000e+00,
-1.12562223e-03, 2.28220259e-03, -1.15658036e-03]))
('penalty', 1000.0)
('old_driving_force', -39007.292542487587, 0.0022822025852371475)
('sublsum', -141.58389348912306)
(1.0, -39232.078437139302, 0.42370204562214075)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.35031442e-01 3.64968553e-01 4.68973682e-09], NP=0.11974194819128475), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 9.93045478e-02 1.00000000e+00 1.00000000e-12], NP=1.0)])
('step', array([ 1.43686695e-03, -1.43687159e-03, 4.63951529e-09,
5.11808675e-10, -2.18888986e-09, 1.67708114e-09,
-7.15111793e-09, 1.44646006e-08, -7.31548247e-09,
0.00000000e+00, -2.33076442e-02, 2.23543530e-01,
-2.00235885e-01, 0.00000000e+00, -3.04563569e-01,
-1.38458073e+00, 1.68914430e+00]))
('conv_angle', 89.955866984401666)
('Site fractions', array([ 9.52547162e-01, 4.74528317e-02, 5.88229582e-09,
7.24427770e-10, 9.99999997e-01, 2.30461881e-09,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 9.93045478e-02, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.19741948e-01, 1.00000000e-12, 1.00000000e+00]))
('Chemical potentials', array([-41613.47889061, -36747.05379365, -60907.26436987]))
('Chem pot progress', array([ 1.74392254e+00, 2.50103778e-03, -7.37320257e+03]))
('Energy progress', -5424.894383107727)
('Driving force', 1246.3374618910821)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.35031442e-01 3.64968553e-01 4.68973682e-09], NP=0.11974194819128475), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 9.93045478e-02 1.00000000e+00 1.00000000e-12], NP=1.0)])
('reduced_hessian eigenvalues', array([ -9.94259622e+04, 4.95001827e+03, 5.02986620e+03,
8.34594029e+03, 1.04111454e+05, 5.82359853e+10,
2.74873700e+11, 2.65890226e+13]))
('reduced_hessian modified eigenvalues', array([ 4.95001906e+03, 5.02986450e+03, 8.34593844e+03,
9.94259620e+04, 1.04111451e+05, 5.82359853e+10,
2.74873700e+11, 2.65890226e+13]))
('NEW_L_MULTIPLIERS', array([ -1.20587839e+04, -5.82958680e+04, 1.83081238e+04,
6.29593221e+03, -2.38225397e+04, 9.38353129e+03,
-1.00974134e+05, -1.67529097e+04, 5.15702640e+11]))
('L_CONSTRAINTS', array([ -8.86511300e-18, -2.28563705e-17, 1.99997788e-12,
0.00000000e+00, 9.93045478e-02, 0.00000000e+00,
-1.64655550e-01, 4.23702046e-01, -3.99999994e-02]))
('penalty', 10000)
('old_driving_force', 20628061027.528797, 0.42370204562214075)
('sublsum', -20628098112.332909)
(1.0, -151201802765.41281, 0.33999996513264608)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 3.48673538e-08 6.68369724e-01 3.33195591e-01], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.02499889e-04], NP=1e-12)])
('step', array([ -9.54895187e-01, 5.36970805e-01, 4.17924383e-01,
1.03875634e-07, -1.63738098e-01, 1.63737994e-01,
-1.26058104e-01, 2.44720500e-01, -1.18662396e-01,
0.00000000e+00, -1.02855331e+00, 9.29146258e-01,
1.02499888e-04, 0.00000000e+00, 2.31886484e+00,
-1.90107320e-01, -2.04538358e+00]))
('conv_angle', 89.367749321382107)
('Site fractions', array([ 1.00000000e-12, 5.84423636e-01, 4.17924389e-01,
1.04600061e-07, 8.36261899e-01, 1.63737996e-01,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.02499889e-04, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12, 1.00000000e-12]))
('Chemical potentials', array([ -1.00974134e+05, -1.67529097e+04, 5.15702640e+11]))
('Chem pot progress', array([ -5.93606547e+04, 1.99941441e+04, 5.15702701e+11]))
('Energy progress', 8836.533413224766)
('Driving force', -171829870524.69089)
('Composition Sets', [CompositionSet(LAVES_C15, [ 3.48673538e-08 6.68369724e-01 3.33195591e-01], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.02499889e-04], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -4.21069514e+11, -1.44020892e+11, 2.51560983e+03,
2.51566480e+03, 7.38422280e+03, 3.24765576e+11,
4.21069513e+11, 4.47234502e+14]))
('reduced_hessian modified eigenvalues', array([ 2.51561338e+03, 2.51564061e+03, 7.38418409e+03,
1.44020892e+11, 3.24765576e+11, 4.21069513e+11,
4.21069514e+11, 4.47234502e+14]))
('NEW_L_MULTIPLIERS', array([ 1.74434407e+10, 8.72170205e+09, -3.32952545e+10,
-8.35091729e+03, -3.32891481e+10, -1.02455217e+07,
4.46141196e+10, -5.95667690e+10, 2.06687564e+11]))
('L_CONSTRAINTS', array([ 2.34802507e-03, 8.60422844e-16, 1.99997788e-12,
0.00000000e+00, 1.02499890e-04, 0.00000000e+00,
-3.39999965e-01, 4.83697238e-02, 2.93195591e-01]))
('penalty', 10000)
('old_driving_force', -42587429602.036484, 0.33999996513264608)
('sublsum', 42587381467.194221)
(1.0, -14003218616.405224, 0.16964098558432)
(0.5, -20180478142.937477, 0.20287424685342756)
(0.25, -30164772448.610714, 0.26321853992120287)
(0.125, -36114160430.024574, 0.29955461100896597)
(0.0625, -39285309920.398239, 0.31926362769131644)
(0.03125, -40919998514.18866, 0.32950338131710882)
(0, -42587429602.036484, 0.33999996513264608)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 3.48673538e-08 6.68369724e-01 3.33195591e-01], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.02499889e-04], NP=1e-12)])
('step', array([ 1.40679622e-05, 7.50926567e-02, -7.74547498e-02,
1.01997180e+00, -6.81831234e-01, -3.38140566e-01,
-2.31189042e-01, 6.15833168e-02, 1.69605726e-01,
0.00000000e+00, -2.31139633e-01, 6.14986469e-02,
1.69538486e-01, 0.00000000e+00, -3.86756075e-01,
1.93688560e-01, 1.93653074e-01]))
('conv_angle', 97.836366560996694)
('Site fractions', array([ 1.00000000e-12, 5.84423636e-01, 4.17924389e-01,
1.04600061e-07, 8.36261899e-01, 1.63737996e-01,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.02499889e-04, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12, 1.00000000e-12]))
('Chemical potentials', array([ 4.46141196e+10, -5.95667690e+10, 2.06687564e+11]))
('Chem pot progress', array([ 4.46142206e+10, -5.95667523e+10, -3.09015076e+11]))
('Energy progress', 0.0)
('Driving force', -29054797379.045227)
('Composition Sets', [CompositionSet(LAVES_C15, [ 3.48673538e-08 6.68369724e-01 3.33195591e-01], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.02499889e-04], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -1.89748000e+11, -6.13933834e+10, 3.30209696e+03,
3.80767457e+03, 7.38417518e+03, 1.54710836e+11,
1.89748000e+11, 4.47234502e+14]))
('reduced_hessian modified eigenvalues', array([ 3.30210731e+03, 3.80762775e+03, 7.38418000e+03,
6.13933834e+10, 1.54710836e+11, 1.89748000e+11,
1.89748000e+11, 4.47234502e+14]))
('NEW_L_MULTIPLIERS', array([ -4.52439703e+08, -2.26238240e+08, -8.03454162e+09,
3.74415201e+09, -8.03191624e+09, 7.48320345e+09,
8.26563155e+10, -2.35136640e+10, 6.17990132e+10]))
('L_CONSTRAINTS', array([ 2.34802507e-03, 8.60422844e-16, 1.99997788e-12,
0.00000000e+00, 1.02499890e-04, 0.00000000e+00,
-3.39999965e-01, 4.83697238e-02, 2.93195591e-01]))
('penalty', 1000.0)
('old_driving_force', 11123146312.050249, 0.33999996513264608)
('sublsum', -11123200367.293812)
(1.0, 314873478.84008974, 0.18155578435751565)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.33334271 0.53637913 0.19079675], NP=0.7489950522923523), CompositionSet(HCP_A3, [ 1.00000000e-12 9.39683682e-01 1.53943495e-01], NP=0.12571299555744064), CompositionSet(BCC_A2, [ 1.00000000e-12 9.06696307e-01 1.32785768e-01], NP=0.1256719813928585)])
('step', array([ 1.40679630e-05, 1.29367167e-01, -1.31729261e-01,
1.01997179e+00, -6.54706115e-01, -3.65265671e-01,
-9.36271769e-02, -6.03163177e-02, 1.53943495e-01,
0.00000000e+00, -3.94820750e-02, -9.33036927e-02,
1.32683268e-01, 0.00000000e+00, -2.51004948e-01,
1.25712996e-01, 1.25671981e-01]))
('conv_angle', 84.578281688633808)
('Site fractions', array([ 1.40679640e-05, 7.13790804e-01, 2.86195128e-01,
1.00000000e+00, 1.81555784e-01, 1.00000000e-12,
1.00000000e-12, 9.39683682e-01, 1.53943495e-01,
1.00000000e+00, 1.00000000e-12, 9.06696307e-01,
1.32785768e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.74899505, 0.125713 , 0.12567198]))
('Chemical potentials', array([ 8.26563155e+10, -2.35136640e+10, 6.17990132e+10]))
('Chem pot progress', array([ 3.80421958e+10, 3.60531050e+10, -1.44888551e+11]))
('Energy progress', 5298.131901067703)
('Driving force', -16792206208.005451)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.33334271 0.53637913 0.19079675], NP=0.7489950522923523), CompositionSet(HCP_A3, [ 1.00000000e-12 9.39683682e-01 1.53943495e-01], NP=0.12571299555744064), CompositionSet(BCC_A2, [ 1.00000000e-12 9.06696307e-01 1.32785768e-01], NP=0.1256719813928585)])
('reduced_hessian eigenvalues', array([ -6.03218313e+10, -2.11347717e+10, 2.57625686e+07,
5.90937393e+10, 6.02906400e+10, 3.85620163e+14,
4.21593602e+14, 6.91634091e+14]))
('reduced_hessian modified eigenvalues', array([ 2.57625686e+07, 2.11347717e+10, 5.90937393e+10,
6.02906400e+10, 6.03218313e+10, 3.85620163e+14,
4.21593602e+14, 6.91634091e+14]))
('NEW_L_MULTIPLIERS', array([ -2.89927466e+09, -1.23979170e+09, 2.86442118e+08,
-2.06368402e+08, -1.79549085e+08, -2.94557919e+08,
-3.75427547e+09, 8.12362654e+09, 1.65401756e+09]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 1.81555784e-01, 9.36271769e-02,
0.00000000e+00, 3.94820750e-02, 0.00000000e+00,
-9.03279580e-02, 1.38220870e-02, 1.38945972e-01]))
('penalty', 10000)
('old_driving_force', -475883720.50361174, 0.18155578435751565)
('sublsum', 475869421.32563883)
(1.0, -878985753.80733812, 0.092483101304780213)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.33333333 0.65378304 0.04049604], NP=0.8194349474363484), CompositionSet(HCP_A3, [ 1.00000000e-12 9.81053536e-01 1.89529076e-02], NP=0.07864835186518555), CompositionSet(BCC_A2, [ 1.00000000e-12 9.67316983e-01 3.26870163e-02], NP=0.1029571361729237)])
('step', array([ -4.14324362e-02, 2.66883757e-01, -2.25451320e-01,
3.50618223e-01, -5.32174505e-01, 4.96974178e-07,
-6.44356725e-06, 4.13698536e-02, -1.34990587e-01,
0.00000000e+00, -3.99948087e-06, 6.06206758e-02,
-1.00098751e-01, 0.00000000e+00, 7.04398951e-02,
-4.70646437e-02, -2.27148452e-02]))
('conv_angle', 92.771300244822513)
('Site fractions', array([ 1.00000000e-12, 9.80674560e-01, 6.07438078e-02,
1.00000000e+00, 1.00000000e-12, 4.96975178e-07,
1.00000000e-12, 9.81053536e-01, 1.89529076e-02,
1.00000000e+00, 1.00000000e-12, 9.67316983e-01,
3.26870163e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.81943495, 0.07864835, 0.10295714]))
('Chemical potentials', array([ -3.75427547e+09, 8.12362654e+09, 1.65401756e+09]))
('Chem pot progress', array([ -8.64105909e+10, 3.16372905e+10, -6.01449956e+10]))
('Energy progress', 7970.978728009399)
('Driving force', -4825425994.5413628)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.33333333 0.65378304 0.04049604], NP=0.8194349474363484), CompositionSet(HCP_A3, [ 1.00000000e-12 9.81053536e-01 1.89529076e-02], NP=0.07864835186518555), CompositionSet(BCC_A2, [ 1.00000000e-12 9.67316983e-01 3.26870163e-02], NP=0.1029571361729237)])
('reduced_hessian eigenvalues', array([ -4.57468852e+09, -1.94772202e+09, 1.50638135e+09,
4.57021960e+09, 2.45745275e+14, 3.18752741e+14,
6.25746919e+14, 8.99360557e+14]))
('reduced_hessian modified eigenvalues', array([ 1.50638135e+09, 1.94772202e+09, 4.57021960e+09,
4.57468852e+09, 2.45745275e+14, 3.18752741e+14,
6.25746919e+14, 8.99360557e+14]))
('NEW_L_MULTIPLIERS', array([ -1.14269372e+09, -4.64839657e+07, 3.85250799e+08,
3.86469164e+08, 3.62926621e+08, 7.72325913e+08,
-5.94731515e+08, 8.80885596e+08, 1.10850894e+09]))
('L_CONSTRAINTS', array([ 4.14183683e-02, 4.96976178e-07, 6.44356725e-06,
0.00000000e+00, 3.99948087e-06, 0.00000000e+00,
-6.68550175e-02, 9.24831013e-02, -1.96015506e-03]))
('penalty', 10000)
('old_driving_force', -71750640.156373113, 0.092483101304780213)
('sublsum', 71735532.596188992)
(1.0, -10192291.009613581, 0.043036526191315483)
(0.5, -37393281.239908464, 0.054248120900666885)
(0.25, -55379255.550107762, 0.071363968540654299)
(0.125, -63766726.610621437, 0.081423124282199888)
(0.0625, -67809080.947968632, 0.086828010133360833)
(0.03125, -69792412.292172596, 0.089624280054038219)
(0, -71750640.156373113, 0.092483101304780213)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.33333333 0.65378304 0.04049604], NP=0.8194349474363484), CompositionSet(HCP_A3, [ 1.00000000e-12 9.81053536e-01 1.89529076e-02], NP=0.07864835186518555), CompositionSet(BCC_A2, [ 1.00000000e-12 9.67316983e-01 3.26870163e-02], NP=0.1029571361729237)])
('step', array([ -7.01339395e-07, 4.53843849e-03, -4.59561054e-02,
2.03726795e-02, 5.03619002e-07, -2.03736801e-02,
1.75484628e-06, -1.65129186e-01, 1.65120988e-01,
0.00000000e+00, 1.27227413e-06, -1.66152257e-01,
1.66146985e-01, 0.00000000e+00, 1.83871309e-01,
-9.48040456e-02, -9.51838379e-02]))
('conv_angle', 93.896904913117041)
('Site fractions', array([ 1.00000000e-12, 9.80674560e-01, 6.07438078e-02,
1.00000000e+00, 1.00000000e-12, 4.96975178e-07,
1.00000000e-12, 9.81053536e-01, 1.89529076e-02,
1.00000000e+00, 1.00000000e-12, 9.67316983e-01,
3.26870163e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.81943495, 0.07864835, 0.10295714]))
('Chemical potentials', array([ -5.94731515e+08, 8.80885596e+08, 1.10850894e+09]))
('Chem pot progress', array([ 3.15954395e+09, -7.24274095e+09, -5.45508625e+08]))
('Energy progress', 0.0)
('Driving force', -507357978.01985615)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.33333333 0.65378304 0.04049604], NP=0.8194349474363484), CompositionSet(HCP_A3, [ 1.00000000e-12 9.81053536e-01 1.89529076e-02], NP=0.07864835186518555), CompositionSet(BCC_A2, [ 1.00000000e-12 9.67316983e-01 3.26870163e-02], NP=0.1029571361729237)])
('reduced_hessian eigenvalues', array([ -1.60729456e+08, -4.05180002e+06, 1.60963946e+08,
8.94002014e+08, 2.45743939e+14, 3.18752235e+14,
6.25750227e+14, 8.99360873e+14]))
('reduced_hessian modified eigenvalues', array([ 4.05179992e+06, 1.60729456e+08, 1.60963946e+08,
8.94002014e+08, 2.45743939e+14, 3.18752235e+14,
6.25750227e+14, 8.99360873e+14]))
('NEW_L_MULTIPLIERS', array([ -7.29258334e+08, 8.11580568e+08, 1.65454046e+08,
1.01574541e+08, 1.43092642e+08, 2.01321790e+08,
-2.65814073e+09, 8.42837569e+08, 7.52396568e+08]))
('L_CONSTRAINTS', array([ 4.14183683e-02, 4.96976178e-07, 6.44356725e-06,
0.00000000e+00, 3.99948087e-06, 0.00000000e+00,
-6.68550175e-02, 9.24831013e-02, -1.96015506e-03]))
('penalty', 1000.0)
('old_driving_force', -224002909.71906382, 0.092483101304780213)
('sublsum', 223965790.86377931)
(1.0, -302535413.78856754, 0.72513828689129001)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 2.34861429e-01 2.84247454e-07 7.65138287e-01], NP=1.0), CompositionSet(HCP_A3, [ 2.34579962e-07 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 7.84726624e-09 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -8.57437632e-07, -1.11482730e+00, 1.07340979e+00,
-2.95415713e-01, 8.52739361e-07, 2.95414364e-01,
2.34578962e-07, 3.69692645e+00, -3.69693313e+00,
0.00000000e+00, 7.84626624e-09, 3.69610261e+00,
-3.69610662e+00, 0.00000000e+00, 4.42640360e-01,
-2.29451490e-01, -2.26449289e-01]))
('conv_angle', 90.56744591899367)
('Site fractions', array([ 1.00000000e-12, 1.00000000e-12, 1.00000000e+00,
7.04584287e-01, 8.52740361e-07, 2.95414861e-01,
2.34579962e-07, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 7.84726624e-09, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12, 1.00000000e-12]))
('Chemical potentials', array([ -2.65814073e+09, 8.42837569e+08, 7.52396568e+08]))
('Chem pot progress', array([ -2.06340921e+09, -3.80480277e+07, -3.56112370e+08]))
('Energy progress', -8903.180292244619)
('Driving force', 48575868.266270325)
('Composition Sets', [CompositionSet(LAVES_C15, [ 2.34861429e-01 2.84247454e-07 7.65138287e-01], NP=1.0), CompositionSet(HCP_A3, [ 2.34579962e-07 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 7.84726624e-09 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -2.82233042e+09, -1.51878514e+08, 2.58044091e+03,
2.58046942e+03, 1.61222312e+09, 2.82233119e+09,
3.18471983e+14, 1.72044450e+15]))
('reduced_hessian modified eigenvalues', array([ 2.58043462e+03, 2.58046887e+03, 1.51878514e+08,
1.61222312e+09, 2.82233042e+09, 2.82233119e+09,
3.18471983e+14, 1.72044450e+15]))
('NEW_L_MULTIPLIERS', array([ -9.90268743e+08, -6.48547365e+07, 2.18576195e+08,
-2.60088774e+08, 2.18566626e+08, -5.20158938e+08,
-2.68988057e+09, -1.61365147e+10, 2.41402670e+09]))
('L_CONSTRAINTS', array([ 1.99995576e-12, -1.66533454e-16, 2.34580962e-07,
0.00000000e+00, 7.84826628e-09, 0.00000000e+00,
-1.05138571e-01, -6.19999716e-01, 7.25138287e-01]))
('penalty', 10000)
('old_driving_force', -12037964678.496166, 0.72513828689129001)
('sublsum', 12038002488.963617)
(1.0, 5738360567.0678854, 1.1942045097356269)
(0.5, -3216361536.3942666, 1.0000000000010001)
(0.25, -7744529903.2834063, 1.0000000000010001)
(0.125, -9744743989.5272121, 0.71698813313801013)
(0.0625, -10836449370.585182, 0.70044009600688462)
(0.03125, -11423482480.436863, 0.70763341294714599)
(0, -12037964678.496166, 0.72513828689129001)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 2.34861429e-01 2.84247454e-07 7.65138287e-01], NP=1.0), CompositionSet(HCP_A3, [ 2.34579962e-07 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 7.84726624e-09 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -1.77819826e-07, -3.70925733e-06, 3.88707516e-06,
1.18501683e+00, -1.84260591e+00, 6.57589081e-01,
-4.75194576e+00, 2.55111850e-01, 4.49683368e+00,
0.00000000e+00, -4.75199136e+00, 2.55096179e-01,
4.49689517e+00, 0.00000000e+00, -1.23420466e+00,
6.17099193e-01, 6.17105317e-01]))
('conv_angle', 92.700352217084344)
('Site fractions', array([ 1.00000000e-12, 1.00000000e-12, 1.00000000e+00,
7.04584287e-01, 8.52740361e-07, 2.95414861e-01,
2.34579962e-07, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 7.84726624e-09, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12, 1.00000000e-12]))
('Chemical potentials', array([ -2.68988057e+09, -1.61365147e+10, 2.41402670e+09]))
('Chem pot progress', array([ -3.17398445e+07, -1.69793523e+10, 1.66163013e+09]))
('Energy progress', 0.0)
('Driving force', -1215341675.0397975)
Removing CompositionSet(BCC_A2, [ 7.84726624e-09 1.00000000e+00 1.00000000e-12], NP=nan)
Removing CompositionSet(HCP_A3, [ 2.34579962e-07 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 2.34861429e-01 2.84247454e-07 7.65138287e-01], NP=1.0)])
('reduced_hessian eigenvalues', array([ 2.23611461e+14, 6.70834383e+14]))
('NEW_L_MULTIPLIERS', array([ -8.02525410e+09, -4.01265866e+09, 1.20378938e+10,
2.78701134e+10, 1.20378434e+10]))
('L_CONSTRAINTS', array([ 1.99995576e-12, -1.66533454e-16, -1.05138571e-01,
-6.19999716e-01, 7.25138287e-01]))
('penalty', 1000.0)
('old_driving_force', 9815978428.1532631, 0.72513828689129001)
('sublsum', -9816065174.3162346)
(1.0, 4538537768.0296412, 1.0000000000010001)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.33333333 0.33333543 0.66666457], NP=0.9999999999999996)])
('step', array([ 4.90701924e-11, 3.14681677e-06, -3.14686784e-06,
3.15415713e-01, 1.85999285e+00, -2.17540857e+00,
-4.57482852e-16]))
('conv_angle', 78.332947214382571)
('Site fractions', array([ 5.00701924e-11, 3.14681777e-06, 9.99996853e-01,
1.00000000e+00, 1.00000000e+00, 1.00000000e-12]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([ 1.20378938e+10, 2.78701134e+10, 1.20378434e+10]))
('Chem pot progress', array([ 1.47277744e+10, 4.40066281e+10, 9.62381669e+09]))
('Energy progress', -28323.186168179487)
('Driving force', -21327990718.258343)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.33333333 0.33333543 0.66666457], NP=0.9999999999999996)])
('reduced_hessian eigenvalues', array([ 9.63088167e+12, 8.97701382e+14]))
('NEW_L_MULTIPLIERS', array([ 9.85689185e+08, -2.29864006e+08, 6.89591913e+08,
6.89548802e+08, -1.47857318e+09]))
('L_CONSTRAINTS', array([ 2.22044605e-16, 1.00000000e+00, -6.66666663e-03,
-2.86664569e-01, 6.26664569e-01]))
('penalty', 10000)
('old_driving_force', 1358659592.6737711, 1.0000000000010001)
('sublsum', -1358701007.0124958)
(1.0, -17837.141478072772, 0.0066566965424280089)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.3333433 0.62665655 0.04000014], NP=1.0)])
('step', array([ 1.49551363e-05, 9.39981683e-01, -9.39996638e-01,
1.99700896e-02, -1.01996966e+00, -4.30885124e-07,
5.68345373e-16]))
('conv_angle', 68.689480706772088)
('Site fractions', array([ 1.49551864e-05, 9.39984829e-01, 6.00002154e-02,
1.00000000e+00, 1.00000000e-12, 1.00000000e-12]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([ 6.89591913e+08, 6.89548802e+08, -1.47857318e+09]))
('Chem pot progress', array([ -1.13483019e+10, -2.71805645e+10, -1.35164166e+10]))
('Energy progress', 40955.39649999395)
('Driving force', -602856551.24935031)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.3333433 0.62665655 0.04000014], NP=1.0)])
('reduced_hessian eigenvalues', array([ 4.47222208e+14, 1.34166650e+15]))
('NEW_L_MULTIPLIERS', array([ 1059936.91133687, -1068816.89860511, 3161373.4292796 ,
-1608036.48060299, -1645321.77208332]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 2.00000000e-12, -6.65669654e-03,
6.65655291e-03, 1.43628374e-07]))
('penalty', 10000)
('old_driving_force', 13312.997478216515, 0.0066566965424280089)
('sublsum', -32258.525863208833)
(1.0, -18813.029006623667, 6.0531007983755103e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.34 0.62 0.04], NP=1.0)])
('step', array([ 9.98504391e-03, -9.98482892e-03, -2.14988121e-07,
1.81593032e-09, -9.09048768e-10, -9.08881557e-10,
-4.62793070e-17]))
('conv_angle', 53.972016544011403)
('Site fractions', array([ 9.99999909e-03, 9.30000000e-01, 6.00000005e-02,
1.00000000e+00, 1.00000000e-12, 1.00000000e-12]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([ 3161373.4292796 , -1608036.48060299, -1645321.77208332]))
('Chem pot progress', array([ -6.86430540e+08, -6.91156839e+08, 1.47692785e+09]))
('Energy progress', -244.37565260269548)
('Driving force', -30884.506118772602)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.34 0.62 0.04], NP=1.0)])
('reduced_hessian eigenvalues', array([ 4.47222165e+14, 1.34166650e+15]))
('NEW_L_MULTIPLIERS', array([ -7260.80354067, -2730.1336782 , -36891.27051406, -7240.31371617,
-44525.20902037]))
('L_CONSTRAINTS', array([ 6.93889390e-17, 2.00000000e-12, -6.05310080e-10,
3.03016390e-10, 3.02960525e-10]))
('penalty', 10000)
('old_driving_force', -18813.031914743271, 6.0531007983755103e-10)
('sublsum', -6.7576022079318044e-06)
(1.0, -18813.031933001344, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.34 0.62 0.04], NP=0.9999999999999999)])
('step', array([ 9.53850391e-10, -4.76925375e-10, -4.76925086e-10,
-9.17704188e-11, 4.48018064e-11, 4.49686124e-11,
-1.21717100e-16]))
('conv_angle', 86.899329507773885)
('Site fractions', array([ 1.00000000e-02, 9.30000000e-01, 6.00000000e-02,
1.00000000e+00, 4.58018064e-11, 4.59686124e-11]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-36891.27051406, -7240.31371617, -44525.20902037]))
('Chem pot progress', array([-3198264.69979366, 1600796.16688682, 1600796.56306294]))
('Energy progress', -1.2767086445819587e-05)
('Driving force', 0.0029066199022054207)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.34 0.62 0.04], NP=0.9999999999999999)])
('reduced_hessian eigenvalues', array([ 1.40634928e+13, 4.21907573e+13]))
('NEW_L_MULTIPLIERS', array([ -7260.8051716 , -2730.13476207, -36891.26718245, -7240.31127488,
-44525.20664571]))
('L_CONSTRAINTS', array([ -6.93889390e-17, 4.97424250e-17, -5.55111512e-17,
-1.11022302e-16, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -18813.031933001344, 1.1102230246251565e-16)
('sublsum', -0.00016528946961884617)
(1.0, -18813.032083360438, 2.6071918548358374e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.34 0.62 0.04], NP=1.0)])
('step', array([ 1.25182639e-09, -6.23490673e-10, -6.28335649e-10,
-2.50365276e-09, 1.24698142e-09, 1.25667128e-09,
1.36854969e-16]))
('conv_angle', 58.90895454315622)
('Site fractions', array([ 1.00000013e-02, 9.29999999e-01, 5.99999993e-02,
9.99999997e-01, 1.29278323e-09, 1.30263989e-09]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-36891.26718245, -7240.31127488, -44525.20664571]))
('Chem pot progress', array([ 0.00333161, 0.00244128, 0.00237467]))
('Energy progress', -0.00015035909382277168)
('Driving force', 1.4930381439626217e-05)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [(CompositionSet(LAVES_C14, [ 0.66666667 0.33333333 0. ], NP=1.0), 12454.840047804446), (CompositionSet(LAVES_C14, [ 1.00000000e-12 1.00000000e+00 0.00000000e+00], NP=1.0), 24506.745462724342), (CompositionSet(LAVES_C14, [ 5.43821814e-12 1.00000000e+00 0.00000000e+00], NP=1.0), 24506.745462961848), (CompositionSet(LAVES_C14, [ 0.66666667 0.33333333 0. ], NP=1.0), 12454.84004780441), (CompositionSet(LAVES_C14, [ 0.66666667 0.33333333 0. ], NP=1.0), 12454.840047804235), (CompositionSet(LAVES_C14, [ 1.00000000e-12 1.00000000e+00 0.00000000e+00], NP=1.0), 24506.745462724342), (CompositionSet(LAVES_C14, [ 1.00000000e-12 1.00000000e+00 0.00000000e+00], NP=1.0), 24506.745462724342), (CompositionSet(LAVES_C14, [ 1.00000000e-12 1.00000000e+00 0.00000000e+00], NP=1.0), 24506.745462724342)], 'BCC_A2': [(CompositionSet(BCC_A2, [ 3.37792285e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 28316.92820838507), (CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 3.06371827e-11], NP=1.0), 28316.92820784156), (CompositionSet(BCC_A2, [ 3.30738668e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 28316.92820829043), (CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 3.14626282e-11], NP=1.0), 28316.92820794939), (CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 28316.928203776843), (CompositionSet(BCC_A2, [ 3.23938330e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 28316.928208199046), (CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 28316.928203776843), (CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 3.11339124e-11], NP=1.0), 28316.928207906458), (CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 28316.928203776843), (CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 28316.928203776843)], 'LAVES_C36': [(CompositionSet(LAVES_C36, [ 2.51067279e-11 1.00000000e+00 2.23626333e-11], NP=1.0), 24506.74546900514), (CompositionSet(LAVES_C36, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462891202), (CompositionSet(LAVES_C36, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462891202), (CompositionSet(LAVES_C36, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462891202), (CompositionSet(LAVES_C36, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462891202), (CompositionSet(LAVES_C36, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462891202), (CompositionSet(LAVES_C36, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462891202), (CompositionSet(LAVES_C36, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462891202), (CompositionSet(LAVES_C36, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462891202), (CompositionSet(LAVES_C36, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462891202)], 'LIQUID': [(CompositionSet(LIQUID, [ 1.00000000e-12 1.00000000e+00 2.75811239e-11], NP=1.0), 23406.689340513145), (CompositionSet(LIQUID, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 23406.689336909098), (CompositionSet(LIQUID, [ 3.04418696e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 23406.689340828816), (CompositionSet(LIQUID, [ 1.00000000e-12 1.00000000e+00 2.72843175e-11], NP=1.0), 23406.689340474728), (CompositionSet(LIQUID, [ 1.00000000e-12 1.00000000e+00 2.90244458e-11], NP=1.0), 23406.689340699362), (CompositionSet(LIQUID, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 23406.689336909098), (CompositionSet(LIQUID, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 23406.689336909098), (CompositionSet(LIQUID, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 23406.689336909098), (CompositionSet(LIQUID, [ 2.89430906e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 23406.689340638623), (CompositionSet(LIQUID, [ 2.94543781e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 23406.689340703575)], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 6.03719388e-12 1.00000000e+00 3.27995716e-11], NP=1.0), 24506.74546768569), (CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462900144), (CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462900144), (CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462900144), (CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462900144), (CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462900144), (CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462900144), (CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462900144), (CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462900144), (CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 24506.745462900144)], 'HCP_A3': [(CompositionSet(HCP_A3, [ 1.42425746e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 29506.745464501488), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 2.18299146e-11], NP=1.0), 29506.745465537326), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 29506.74546288352), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 29506.74546288352), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 29506.74546288352), (CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0), 29506.74546288352), (CompositionSet(HCP_A3, [ 2.45580379e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 29506.745465679774), (CompositionSet(HCP_A3, [ 1.67800685e-11 1.00000000e+00 1.00000000e-12], NP=1.0), 29506.745464795265)]})
Adding CompositionSet(LAVES_C15, [ 0.34 0.62 0.04], NP=1.0000000000000002)
Adding CompositionSet(LAVES_C14, [ 0.66666667 0.33333333 0. ], NP=1e-12)
Adding CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 2.18299146e-11], NP=1e-12)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.34 0.62 0.04], NP=1.0000000000000002), CompositionSet(LAVES_C14, [ 0.66666667 0.33333333 0. ], NP=1e-12), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 2.18299146e-11], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -2.61040672e+05, -2.96775340e+04, 1.59213443e+02,
3.11235485e+03, 8.63552257e+04, 3.50805320e+05,
5.36738373e+11, 1.53647163e+12]))
('reduced_hessian modified eigenvalues', array([ 1.59213447e+02, 3.11235484e+03, 2.96775340e+04,
8.63552257e+04, 2.61040672e+05, 3.50805320e+05,
5.36738373e+11, 1.53647163e+12]))
('NEW_L_MULTIPLIERS', array([ -2431.47135399, 2821.64389186, -5230.21117658, -3169.06151152,
-9665.72598074, -1226.79829573, -53429.02363779, -24196.31511364,
11423.96125953]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 2.60719185e-17, -8.89005833e-17,
0.00000000e+00, -6.77132785e-17, 0.00000000e+00,
6.66744437e-13, 1.33337785e-12, 6.93889390e-18]))
('penalty', 10000)
('old_driving_force', -18813.032083348764, 1.333377852574813e-12)
('sublsum', -2153.4544128695447)
(1.0, -20699.178448913714, 0.012826896964382384)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.33333331 0.63033057 0.04488738], NP=0.8778154612083692), CompositionSet(LAVES_C14, [ 0.59896076 0.40103924 0. ], NP=0.08514104164849878), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0370434971431322)])
('step', array([ -2.28268983e-02, 1.54958407e-02, 7.33105752e-03,
-5.72080478e-08, 2.75996718e-08, 2.96083760e-08,
-1.01558854e-01, 1.01558854e-01, -2.15384921e-01,
2.15384921e-01, -1.35694779e-02, 1.43706744e-02,
-8.01196471e-04, 0.00000000e+00, -1.22184539e-01,
8.51410416e-02, 3.70434971e-02]))
('conv_angle', 87.050562721380558)
('Site fractions', array([ 1.00000000e-12, 9.45495840e-01, 6.73310569e-02,
9.99999940e-01, 2.88924550e-08, 3.09110159e-08,
8.98441146e-01, 1.01558854e-01, 1.00000000e-12,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 0.87781546, 0.08514104, 0.0370435 ]))
('Chemical potentials', array([-53429.02363779, -24196.31511364, 11423.96125953]))
('Chem pot progress', array([ -12608.86912193, 12550.74163816, -434800.92969422]))
('Energy progress', -2440.785390126046)
('Driving force', 11764.981733392291)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.33333331 0.63033057 0.04488738], NP=0.8778154612083692), CompositionSet(LAVES_C14, [ 0.59896076 0.40103924 0. ], NP=0.08514104164849878), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0370434971431322)])
('reduced_hessian eigenvalues', array([ -1.30031610e+03, 6.39272317e+03, 1.67408835e+10,
5.83122186e+10, 6.19862729e+13, 7.12692637e+13,
1.85294378e+14, 9.35959193e+14]))
('reduced_hessian modified eigenvalues', array([ 1.30029834e+03, 6.39274365e+03, 1.67408835e+10,
5.83122186e+10, 6.19862729e+13, 7.12692637e+13,
1.85294378e+14, 9.35959193e+14]))
('NEW_L_MULTIPLIERS', array([ -4.75937586e+03, -3.17909058e+03, 4.54570508e+01,
-5.44657895e+04, -6.77921899e+03, -5.33982542e+04,
-7.24751626e+04, -3.56133433e+04, 2.39545741e+05]))
('L_CONSTRAINTS', array([ 1.28268970e-02, 1.04138532e-17, -1.38777878e-17,
9.99977878e-13, 1.99997788e-12, 0.00000000e+00,
3.60127958e-03, 4.50231519e-03, -5.97162461e-04]))
('penalty', 10000)
('old_driving_force', -20413.099363238845, 0.012826896964382384)
('sublsum', -70439.013943824597)
(1.0, -16807.426145189071, 1.379999997261625)
(0.5, -19381.816907689368, 1.078966442610116)
(0.25, -26512.410801150811, 0.25983407579767492)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 0.33333333 0.58421013 0.08886999], NP=0.02102232531346404), CompositionSet(LAVES_C14, [ 0.19206185 0.80793815 0. ], NP=0.6182993691712848), CompositionSet(HCP_A3, [ 2.49026473e-10 9.99999999e-01 4.08124375e-10], NP=0.3680049703636874)])
('step', array([ -9.77312077e-11, -2.76722590e-01, 2.63895693e-01,
3.46517516e-06, -1.70265694e-06, -1.76251822e-06,
-2.44139350e+00, 2.44139350e+00, 3.47651235e-10,
-3.48651657e-10, 9.92105892e-10, -2.62260331e-09,
1.62849750e-09, 0.00000000e+00, -3.42717254e+00,
2.13263331e+00, 1.32384589e+00]))
('conv_angle', 87.014335587157888)
('Site fractions', array([ 1.00000000e-12, 8.76315193e-01, 1.33304980e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e-12,
2.88092771e-01, 7.11907229e-01, 8.79128087e-11,
1.00000000e+00, 2.49026473e-10, 9.99999999e-01,
4.08124375e-10, 1.00000000e+00]))
('Phase fractions', array([ 0.02102233, 0.61829937, 0.36800497]))
('Chemical potentials', array([ -72475.16257646, -35613.34331185, 239545.74110526]))
('Chem pot progress', array([ -19046.13893866, -11417.0281982 , 228121.77984573]))
('Energy progress', -13383.365547123118)
('Driving force', 5363.5333270171832)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.33333333 0.58421013 0.08886999], NP=0.02102232531346404), CompositionSet(LAVES_C14, [ 0.19206185 0.80793815 0. ], NP=0.6182993691712848), CompositionSet(HCP_A3, [ 2.49026473e-10 9.99999999e-01 4.08124375e-10], NP=0.3680049703636874)])
('reduced_hessian eigenvalues', array([ -8.02154836e+03, 3.19554247e+04, 1.79825077e+11,
3.29344146e+12, 8.07624404e+12, 1.17513543e+13,
3.52480792e+13, 4.69791731e+13]))
('reduced_hessian modified eigenvalues', array([ 8.02155022e+03, 3.19554220e+04, 1.79825077e+11,
3.29344146e+12, 8.07624404e+12, 1.17513543e+13,
3.52480792e+13, 4.69791731e+13]))
('NEW_L_MULTIPLIERS', array([ 2.34075145e+03, 1.37036818e+03, -4.19172489e+03,
-3.26305166e+03, 1.13542173e+03, -2.46498707e+04,
-4.76735140e+04, -2.72772276e+04, -3.04719445e+06]))
('L_CONSTRAINTS', array([ 9.62017275e-03, 2.00000000e-12, 0.00000000e+00,
7.49844631e-13, 1.49997407e-12, 0.00000000e+00,
-2.14240839e-01, 2.59834076e-01, -3.81317461e-02]))
('penalty', 10000)
('old_driving_force', -148762.33875067154, 0.25983407579767492)
('sublsum', 118890.36719303654)
(1.0, 311439.64056000795, 0.21514941831994533)
(0.5, 53864.628199697654, 0.16090777421524205)
(0.25, -84110.689615821349, 0.19607989316224161)
(0.125, -125502.62967098781, 0.22765589747184101)
(0.0625, -139396.1837800871, 0.24366971497320966)
(0.03125, -144644.81027366078, 0.25173307756053631)
(0, -148762.33875067154, 0.25983407579767492)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.33333333 0.58421013 0.08886999], NP=0.02102232531346404), CompositionSet(LAVES_C14, [ 0.19206185 0.80793815 0. ], NP=0.6182993691712848), CompositionSet(HCP_A3, [ 2.49026473e-10 9.99999999e-01 4.08124375e-10], NP=0.3680049703636874)])
('step', array([ 3.55881388e-10, -1.39097663e+00, 1.38135646e+00,
-1.03672858e-09, 5.09726239e-10, 5.25001880e-10,
5.99683767e-01, -5.99683767e-01, 2.42325646e-10,
-2.43075726e-10, 6.22034213e-09, 1.35807904e-07,
-1.42029745e-07, 0.00000000e+00, 2.11232712e-01,
-5.38157189e-01, 3.18243082e-01]))
('conv_angle', 92.776737882137823)
('Site fractions', array([ 1.00000000e-12, 8.76315193e-01, 1.33304980e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e-12,
2.88092771e-01, 7.11907229e-01, 8.79128087e-11,
1.00000000e+00, 2.49026473e-10, 9.99999999e-01,
4.08124375e-10, 1.00000000e+00]))
('Phase fractions', array([ 0.02102233, 0.61829937, 0.36800497]))
('Chemical potentials', array([ -47673.51402629, -27277.22759967, -3047194.45492517]))
('Chem pot progress', array([ 24801.64855017, 8336.11571218, -3286740.19603043]))
('Energy progress', 0.0)
('Driving force', 1050.5654214356327)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.33333333 0.58421013 0.08886999], NP=0.02102232531346404), CompositionSet(LAVES_C14, [ 0.19206185 0.80793815 0. ], NP=0.6182993691712848), CompositionSet(HCP_A3, [ 2.49026473e-10 9.99999999e-01 4.08124375e-10], NP=0.3680049703636874)])
('reduced_hessian eigenvalues', array([ -3.05962272e+05, -3.81766780e+03, 1.79825593e+11,
3.29344152e+12, 8.07624405e+12, 1.17513543e+13,
3.52480792e+13, 4.69791731e+13]))
('reduced_hessian modified eigenvalues', array([ 3.81766814e+03, 3.05962275e+05, 1.79825593e+11,
3.29344152e+12, 8.07624405e+12, 1.17513543e+13,
3.52480792e+13, 4.69791731e+13]))
('NEW_L_MULTIPLIERS', array([ 8.19854215e+05, 2.58640503e+03, 8.02969879e+04,
1.81571862e+04, 1.26079373e+04, -2.59213529e+04,
-3.86233419e+05, -6.68040338e+04, -2.62128955e+07]))
('L_CONSTRAINTS', array([ 9.62017275e-03, 2.00000000e-12, 0.00000000e+00,
7.49844631e-13, 1.49997407e-12, 0.00000000e+00,
-2.14240839e-01, 2.59834076e-01, -3.81317461e-02]))
('penalty', 1000.0)
('old_driving_force', -1106934.9792206429, 0.25983407579767492)
('sublsum', 1078742.3403941812)
(1.0, -1091329.2029317622, 0.69446320633934588)
(0.5, -1142930.1387719472, 0.25360859195952623)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 3.33333338e-01 6.66666667e-01 1.00000000e-12], NP=0.33867458437233194), CompositionSet(LAVES_C14, [ 0.37354495 0.62645505 0. ], NP=0.040493027926720826), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.6224584737208165)])
('step', array([ 1.25981477e-08, 1.29807084e+00, -1.30769103e+00,
2.02997866e-08, 1.40145135e-09, -2.17032375e-08,
5.44449303e-01, -5.44449303e-01, -4.08245071e-09,
4.08170105e-09, -1.68626585e-09, 1.68821219e-06,
-1.68652742e-06, 0.00000000e+00, 6.35304518e-01,
-1.15561268e+00, 5.08907007e-01]))
('conv_angle', 92.535057824874144)
('Site fractions', array([ 6.30007384e-09, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 7.01725675e-10, 1.00000000e-12,
5.60317422e-01, 4.39682578e-01, 1.00000000e-12,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 0.33867458, 0.04049303, 0.62245847]))
('Chemical potentials', array([ -386233.41864727, -66804.0338117 , -26212895.53474833]))
('Chem pot progress', array([ -338559.90462098, -39526.80621203, -23165701.07982317]))
('Energy progress', 4649.930107943612)
('Driving force', 77817.959985730617)
('Composition Sets', [CompositionSet(LAVES_C15, [ 3.33333338e-01 6.66666667e-01 1.00000000e-12], NP=0.33867458437233194), CompositionSet(LAVES_C14, [ 0.37354495 0.62645505 0. ], NP=0.040493027926720826), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.6224584737208165)])
('reduced_hessian eigenvalues', array([ -1.00470946e+05, 9.11835107e+04, 9.95409367e+10,
5.53610218e+11, 3.39274505e+13, 3.95521047e+14,
5.26086206e+14, 1.07471207e+15]))
('reduced_hessian modified eigenvalues', array([ 9.11835621e+04, 1.00470949e+05, 9.95409367e+10,
5.53610218e+11, 3.39274505e+13, 3.95521047e+14,
5.26086206e+14, 1.07471207e+15]))
('NEW_L_MULTIPLIERS', array([ -4.17877634e+05, -5.45296557e+05, 6.64313055e+05,
-5.44260735e+04, -6.80519731e+05, -2.52874014e+04,
-6.17527297e+05, 1.06217056e+06, 2.09388112e+14]))
('L_CONSTRAINTS', array([ 6.30107380e-09, 7.02725675e-10, 1.66533454e-16,
9.99977878e-13, 1.99997788e-12, 0.00000000e+00,
-2.11982504e-01, 2.53608592e-01, -4.00000000e-02]))
('penalty', 10000)
('old_driving_force', 8375524060071.3867, 0.25360859195952623)
('sublsum', -8375524191271.8652)
(1.0, 3222641512422.9712, 0.79037588446412688)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.31946179 0.63892079 0.0416176 ], NP=1e-12), CompositionSet(LAVES_C14, [ 0.1563341 0.8436659 0. ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 9.58382482e-01 4.16175184e-02], NP=0.5913192183598549)])
('step', array([ 1.21140223e-06, -4.16188170e-02, 4.16175993e-02,
-4.16170647e-02, -5.34512145e-07, 4.16175985e-02,
-3.25816279e-01, 3.25816279e-01, -6.17794853e-09,
6.17694889e-09, -2.99258285e-10, -4.16175181e-02,
4.16175184e-02, 0.00000000e+00, -5.33307329e+00,
5.36258648e+00, -3.11392554e-02]))
('conv_angle', 89.549731191951508)
('Site fractions', array([ 1.21770230e-06, 9.58381183e-01, 4.16175993e-02,
9.58382935e-01, 1.00000000e-12, 4.16175985e-02,
2.34501143e-01, 7.65498857e-01, 1.00000000e-12,
1.00000000e+00, 1.00000000e-12, 9.58382482e-01,
4.16175184e-02, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e-12, 1.00000000e+00, 5.91319218e-01]))
('Chemical potentials', array([ -6.17527297e+05, 1.06217056e+06, 2.09388112e+14]))
('Chem pot progress', array([ -2.31293878e+05, 1.12897459e+06, 2.09388138e+14]))
('Energy progress', -25214.157907929868)
('Driving force', -5152883431542.6572)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.31946179 0.63892079 0.0416176 ], NP=1e-12), CompositionSet(LAVES_C14, [ 0.1563341 0.8436659 0. ], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 9.58382482e-01 4.16175184e-02], NP=0.5913192183598549)])
('reduced_hessian eigenvalues', array([ -9.88088398e+13, 5.96813455e-03, 4.03397033e-01,
1.06215215e+03, 1.38907770e+13, 9.37516147e+13,
6.13735381e+14, 1.10549304e+15]))
('reduced_hessian modified eigenvalues', array([ 1.06245530e-02, 2.29554304e-01, 1.06212086e+03,
1.38907770e+13, 9.37516147e+13, 9.88088398e+13,
6.13735381e+14, 1.10549304e+15]))
('NEW_L_MULTIPLIERS', array([ 2.37322001e+12, 1.18661001e+12, -3.01370000e+12,
-7.76888288e+11, -1.50926408e+12, -1.55365710e+12,
6.96847795e+12, 2.07262236e+12, -7.04759357e+13]))
('L_CONSTRAINTS', array([ 3.81639165e-16, 5.33811419e-07, -2.22044605e-16,
9.99977878e-13, 2.99258188e-10, 0.00000000e+00,
-1.83665904e-01, 7.90375884e-01, -1.53907616e-02]))
('penalty', 10000)
('old_driving_force', -1442957930839.2788, 0.79037588446412688)
('sublsum', 1442957901284.335)
(1.0, -1036013086680.5829, 1.0000000000010001)
(0.5, -2771784640678.6875, 1.0000000000010001)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 0.33333333 0.66864193 0.66666667], NP=1e-12), CompositionSet(LAVES_C14, [ 0.31449289 0.68550711 0. ], NP=0.6262478736440115), CompositionSet(HCP_A3, [ 4.24760900e-04 9.50440012e-01 4.91352275e-02], NP=0.6949134027426302)])
('step', array([ -6.19494939e+00, 3.89831555e+00, 2.29663384e+00,
4.66246529e+00, 1.18515629e-02, -4.67431739e+00,
4.74041114e-01, -4.74041114e-01, 8.70513465e-04,
-8.70513466e-04, 8.49521799e-04, -1.58849404e-02,
1.50354183e-02, 0.00000000e+00, -5.10033254e-02,
-7.47504253e-01, 2.07188369e-01]))
('conv_angle', 90.18579937750593)
('Site fractions', array([ 1.00000000e-12, 1.00000000e+00, 1.00000000e+00,
1.00000000e+00, 5.92578143e-03, 1.00000000e-12,
4.71521701e-01, 5.28478299e-01, 4.35256734e-04,
9.99564743e-01, 4.24760900e-04, 9.50440012e-01,
4.91352275e-02, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e-12, 6.26247874e-01, 6.94913403e-01]))
('Chemical potentials', array([ 6.96847795e+12, 2.07262236e+12, -7.04759357e+13]))
('Chem pot progress', array([ 6.96847857e+12, 2.07262130e+12, -2.79864048e+14]))
('Energy progress', 7667.0480913239735)
('Driving force', -1226803992334.979)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.33333333 0.66864193 0.66666667], NP=1e-12), CompositionSet(LAVES_C14, [ 0.31449289 0.68550711 0. ], NP=0.6262478736440115), CompositionSet(HCP_A3, [ 4.24760900e-04 9.50440012e-01 4.91352275e-02], NP=0.6949134027426302)])
('reduced_hessian eigenvalues', array([ -2.30354265e+13, -3.64502120e+12, 2.10561186e-03,
7.66647955e+02, 1.82724134e+03, 1.38219370e+06,
1.03612058e+12, 4.42621078e+13]))
('reduced_hessian modified eigenvalues', array([ 2.31689525e-03, 7.66649014e+02, 1.82724104e+03,
1.38219370e+06, 1.03612058e+12, 3.64502120e+12,
2.30354265e+13, 4.42621078e+13]))
('NEW_L_MULTIPLIERS', array([ -1.25129952e+11, -6.25649757e+10, -2.24151204e+12,
-1.12075594e+12, -9.55151738e+11, 3.09427868e+11,
4.28297017e+12, 3.57362927e+12, -4.84172877e+13]))
('L_CONSTRAINTS', array([ 1.00000000e+00, 5.92578143e-03, -2.22044605e-16,
4.99711383e-13, 1.49628136e-10, 0.00000000e+00,
-1.42754327e-01, 4.69770875e-01, -5.85527187e-03]))
('penalty', 10000)
('old_driving_force', -1225370141027.8926, 1.0000000000010001)
('sublsum', 1225370120299.7744)
(1.0, -1060236538972.6621, 0.13231452998841509)
(0.5, -808346489318.20764, 0.50000000000049982)
(0.25, -934289685131.46228, 0.75000000000074996)
(0.125, -1059187755611.3668, 0.87500000000087497)
(0.0625, -1137118408971.3369, 0.93750000000093747)
(0.03125, -1179954140170.6621, 0.96875000000096867)
(0, -1225370141027.8926, 1.0000000000010001)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.33333333 0.66864193 0.66666667], NP=1e-12), CompositionSet(LAVES_C14, [ 0.31449289 0.68550711 0. ], NP=0.6262478736440115), CompositionSet(HCP_A3, [ 4.24760900e-04 9.50440012e-01 4.91352275e-02], NP=0.6949134027426302)])
('step', array([ 0.14678581, -0.58340926, -0.56337655, -1.24485692, 1.37262669,
-0.13369555, -0.11429136, 0.11429136, 0.05061262, -0.05061262,
0.173275 , -0.22623204, 0.05295704, 0. , -0.00916556,
0.19957276, -0.50544 ]))
('conv_angle', 90.731115917419288)
('Site fractions', array([ 1.00000000e-12, 1.00000000e+00, 1.00000000e+00,
1.00000000e+00, 5.92578143e-03, 1.00000000e-12,
4.71521701e-01, 5.28478299e-01, 4.35256734e-04,
9.99564743e-01, 4.24760900e-04, 9.50440012e-01,
4.91352275e-02, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e-12, 6.26247874e-01, 6.94913403e-01]))
('Chemical potentials', array([ 4.28297017e+12, 3.57362927e+12, -4.84172877e+13]))
('Chem pot progress', array([ -2.68550778e+12, 1.50100691e+12, 2.20586480e+13]))
('Energy progress', 0.0)
('Driving force', -3086039352329.0552)
Removing CompositionSet(LAVES_C15, [ 0.33333333 0.66864193 0.66666667], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C14, [ 0.31449289 0.68550711 0. ], NP=0.6262478736440115), CompositionSet(HCP_A3, [ 4.24760900e-04 9.50440012e-01 4.91352275e-02], NP=0.6949134027426302)])
('reduced_hessian eigenvalues', array([ -3.43048724e+12, 1.38218641e+06, 4.51702576e+10]))
('reduced_hessian modified eigenvalues', array([ 1.38218641e+06, 4.51702576e+10, 3.43048724e+12]))
('NEW_L_MULTIPLIERS', array([ -2.10654027e+12, -1.05327017e+12, 1.02780339e+12,
1.03090690e+12, 1.91456213e+12, 3.12084317e+12,
-5.17403231e+13]))
('L_CONSTRAINTS', array([ -2.22044605e-16, 4.99711383e-13, 1.49628136e-10,
0.00000000e+00, -1.42754327e-01, 4.69770875e-01,
-5.85527187e-03]))
('penalty', 1000.0)
('old_driving_force', -1495722904797.667, 0.46977087516283067)
('sublsum', 1495722861752.0088)
(1.0, -2716370634106.7749, 0.37999999999999989)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C14, [ 1.00000000e-12 1.00000000e+00 0.00000000e+00], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e+00 1.00000000e-12 1.08764379e-01], NP=1e-12)])
('step', array([-1.75768709, 1.75768709, -0.02333004, 0.02333004, 1.08649986,
-1.14612901, 0.05962915, 0. , 0.40299991, -0.72416119]))
('conv_angle', 90.79284308528004)
('Site fractions', array([ 1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.00000000e+00, 1.00000000e-12,
1.08764379e-01, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ 1.91456213e+12, 3.12084317e+12, -5.17403231e+13]))
('Chem pot progress', array([ -2.36840805e+12, -4.52786100e+11, -3.32303540e+12]))
('Energy progress', 15787.305991578523)
('Driving force', -3120843200790.8379)
('Composition Sets', [CompositionSet(LAVES_C14, [ 1.00000000e-12 1.00000000e+00 0.00000000e+00], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e+00 1.00000000e-12 1.08764379e-01], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -5.16228482e+02, 3.20526400e+03, 1.00624987e+15]))
('reduced_hessian modified eigenvalues', array([ 5.16227891e+02, 3.20526356e+03, 1.00624987e+15]))
('NEW_L_MULTIPLIERS', array([ 1.50293318e+12, 7.51610523e+11, 1.85244836e+13,
1.05144801e+12, -1.23026204e+15, -2.94715778e+11,
-1.00000000e+16]))
('L_CONSTRAINTS', array([ 9.99977878e-13, 9.99977878e-13, 1.08764379e-01,
0.00000000e+00, -3.40000000e-01, 3.80000000e-01,
-4.00000000e-02]))
('penalty', 10000)
('old_driving_force', -820191903953917.38, 0.37999999999999989)
('sublsum', 4.2786798937800907e+23)
(1.0, -139937183726046.08, 1.0000000000010001)
(0.5, -488319383669897.81, 1.0000000000010001)
(0.25, -662510483639560.0, 1.0000000000010001)
(0.125, -749606033624391.12, 1.0000000000010001)
(0.0625, -793153808616806.62, 1.0000000000010001)
(0.03125, -814927696113014.5, 1.0000000000010001)
(0, -820191903953917.38, 0.37999999999999989)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C14, [ 1.00000000e-12 1.00000000e+00 0.00000000e+00], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e+00 1.00000000e-12 1.08764379e-01], NP=1e-12)])
('step', array([ -2.44315075e-01, 2.44315032e-01, -2.44314903e-01,
2.44314990e-01, 1.79393896e+10, 3.66198670e+09,
-2.16013762e+10, 0.00000000e+00, -6.27975968e-01,
5.66369226e-01]))
('conv_angle', 90.000000000744123)
('Site fractions', array([ 1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.00000000e+00, 1.00000000e-12,
1.08764379e-01, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ -1.23026204e+15, -2.94715778e+11, -1.00000000e+16]))
('Chem pot progress', array([ -1.23217660e+15, -3.41555895e+12, -9.94825968e+15]))
('Energy progress', 0.0)
('Driving force', 294715750143.13196)
('Composition Sets', [CompositionSet(LAVES_C14, [ 1.00000000e-12 1.00000000e+00 0.00000000e+00], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e+00 1.00000000e-12 1.08764379e-01], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -1.14425934e+05, 2.73588282e+03, 1.00624987e+15]))
('reduced_hessian modified eigenvalues', array([ 2.73588291e+03, 1.14425934e+05, 1.00624987e+15]))
('NEW_L_MULTIPLIERS', array([ 1.20263099e+14, 6.01260949e+13, 2.78609948e+15,
6.13931435e+14, -1.64166361e+15, -1.80579787e+14,
-1.00000000e+16]))
('L_CONSTRAINTS', array([ 9.99977878e-13, 9.99977878e-13, 1.08764379e-01,
0.00000000e+00, -3.40000000e-01, 3.80000000e-01,
-4.00000000e-02]))
('penalty', 1000.0)
('old_driving_force', -1192573688645522.5, 0.37999999999999989)
('sublsum', 8.4187852094089902e+25)
(1.0, -899952265676295.88, 0.3399999999990575)
(0.5, -894748787330070.5, 0.35118460244929284)
(0.25, -892147048156957.38, 0.36559230122514641)
(0.125, -890846178570400.88, 0.37279615061307325)
(0.0625, -890195743777122.75, 0.37639807530703651)
(0.03125, -889870526380483.62, 0.37819903765401819)
(0, -1192573688645522.5, 0.37999999999999989)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C14, [ 1.00000000e-12 1.00000000e+00 0.00000000e+00], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e+00 1.00000000e-12 1.08764379e-01], NP=1e-12)])
('step', array([ -1.46817220e-01, 1.46817292e-01, -1.46823725e-01,
1.46823819e-01, -4.29004997e+10, 6.05157379e+10,
-1.76152382e+10, 0.00000000e+00, -5.87360199e-01,
5.29729404e-01]))
('conv_angle', 90.000000000276373)
('Site fractions', array([ 1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.00000000e+00, 1.00000000e-12,
1.08764379e-01, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([ -1.64166361e+15, -1.80579787e+14, -1.00000000e+16]))
('Chem pot progress', array([ -4.11401576e+14, -1.80285071e+14, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 180579786840094.0)
Removing CompositionSet(HCP_A3, [ 1.00000000e+00 1.00000000e-12 1.08764379e-01], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C14, [ 1.00000000e-12 1.00000000e+00 0.00000000e+00], NP=1.0)])
Failed to converge due to singular matrix: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.6200000000000001)), ('X_V', array(0.04))])
Removing CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.32135445122967415), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.678645548770326)])
('reduced_hessian eigenvalues', array([ 5.00279866e+03, 5.74712321e+03, 1.75973933e+14,
5.24342256e+14, 6.59854051e+14]))
('NEW_L_MULTIPLIERS', array([ -2275.93860899, -8078.00512722, 5834.92449933, -17968.96153788,
-41906.08235694, -37187.26792117, -47235.07602637]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, 0.00000000e+00, 6.55753066e-03,
-6.55753066e-03]))
('penalty', 10000)
('old_driving_force', -39092.462761955619, 0.0065575306563244729)
('sublsum', -195.85752847216105)
(1.0, -39160.097659341649, 0.0035862152756425125)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 3.44610696e-11], NP=0.3215518972537111), CompositionSet(BCC_A2, [ 0.12093448 0.76115218 0.11791335], NP=0.678448102746289)])
('step', array([ 1.27947317e-01, -1.27947318e-01, 3.57788621e-11,
2.00786012e-11, -4.89039716e-11, 2.88254848e-11,
-4.05161241e-02, 3.08219647e-02, 9.69415935e-03,
0.00000000e+00, 1.97446024e-04, -1.97446024e-04]))
('conv_angle', 88.609558618786465)
('Site fractions', array([ 1.00000000e+00, 1.00000000e-12, 3.67788621e-11,
2.10786012e-11, 1.00000000e+00, 2.98254848e-11,
1.20934478e-01, 7.61152176e-01, 1.17913346e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.3215519, 0.6784481]))
('Chemical potentials', array([-41906.08235694, -37187.26792117, -47235.07602637]))
('Chem pot progress', array([ -710.83660551, -160.69869301, 1781.1823848 ]))
('Energy progress', 21.458238700652146)
('Driving force', 174.91493507944688)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 3.44610696e-11], NP=0.3215518972537111), CompositionSet(BCC_A2, [ 0.12093448 0.76115218 0.11791335], NP=0.678448102746289)])
('reduced_hessian eigenvalues', array([ 8.93735059e+03, 9.83658305e+12, 1.92906845e+13,
3.14719850e+13, 6.73051994e+14]))
('NEW_L_MULTIPLIERS', array([ -2307.62603673, -7555.09917387, 5997.47356075, -18360.66145258,
-41055.66322256, -37273.26771164, -47577.86969785]))
('L_CONSTRAINTS', array([ 3.77788621e-11, -1.01694170e-16, 4.16333634e-17,
0.00000000e+00, -3.58430119e-03, 3.58621528e-03,
-1.91407321e-06]))
('penalty', 10000)
('old_driving_force', -39156.741743391314, 0.0035862152756425125)
('sublsum', -17.276889470840946)
(1.0, -39230.07441490965, 0.00038121027114013106)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 6.75320427e-10], NP=0.30281991945469044), CompositionSet(BCC_A2, [ 0.14128525 0.74405417 0.11466058], NP=0.6971800805457814)])
('step', array([ -7.98543186e-10, 3.28747877e-11, 7.27889536e-10,
2.18149474e-10, -6.84948367e-10, 4.66798999e-10,
2.03507748e-02, -1.70980038e-02, -3.25277100e-03,
0.00000000e+00, -1.87319778e-02, 1.87319778e-02]))
('conv_angle', 89.500682110528942)
('Site fractions', array([ 9.99999999e-01, 3.38747877e-11, 7.64668398e-10,
2.39228076e-10, 9.99999999e-01, 4.96624484e-10,
1.41285253e-01, 7.44054172e-01, 1.14660575e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.30281992, 0.69718008]))
('Chemical potentials', array([-41055.66322256, -37273.26771164, -47577.86969785]))
('Chem pot progress', array([ 850.41913438, -85.99979047, -342.79367148]))
('Energy progress', -23.623559165316692)
('Driving force', -5.3440965187037364)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333333e-01 6.75320427e-10], NP=0.30281991945469044), CompositionSet(BCC_A2, [ 0.14128525 0.74405417 0.11466058], NP=0.6971800805457814)])
('reduced_hessian eigenvalues', array([ 7.32841690e+03, 6.16285883e+11, 8.84371051e+11,
2.36258638e+12, 2.73166488e+13]))
('NEW_L_MULTIPLIERS', array([ -2273.21525997, -7475.08448839, 6023.96284104, -18433.04546215,
-41053.00920335, -37278.58038542, -47614.94497831]))
('L_CONSTRAINTS', array([ -4.54336339e-17, 7.57829494e-17, 2.77555756e-17,
0.00000000e+00, 3.81210271e-04, -3.20279425e-04,
-6.09308461e-05]))
('penalty', 10000)
('old_driving_force', -39230.079387217345, 0.00038121027114013106)
('sublsum', -0.13421495022244281)
(1.0, -39237.650993678602, 5.9966000580113921e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666657e-01 3.33333331e-01 1.20114021e-08], NP=0.29961300159013576), CompositionSet(BCC_A2, [ 0.14315514 0.74262431 0.11422055], NP=0.7003869984098643)])
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1.00000000e+00]))
('Phase fractions', array([ 0.36576137, 0.63423863]))
('Chemical potentials', array([-41899.48534223, -37084.44602281, -47925.76192269]))
('Chem pot progress', array([ -14.09022406, 20.11021311, -139.48640294]))
('Energy progress', -13.359544348575582)
('Driving force', 11.642740252173098)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60513048 0.35754753 0.03732199], NP=0.3657613683674041), CompositionSet(BCC_A2, [ 0.12362366 0.77154754 0.1048288 ], NP=0.6342386316325959)])
('reduced_hessian eigenvalues', array([ 5.05528171e+03, 1.51176421e+04, 3.72777298e+04,
5.17806162e+05, 2.86621452e+08]))
('NEW_L_MULTIPLIERS', array([ -2562.77520457, -8755.21083286, 5345.0741167 , -16680.58798006,
-41860.42270422, -37088.97631371, -47940.62770753]))
('L_CONSTRAINTS', array([ 3.46944695e-17, -4.44522891e-17, -1.38777878e-17,
0.00000000e+00, -2.59748460e-04, 1.22328115e-04,
1.37420345e-04]))
('penalty', 10000)
('old_driving_force', -39379.412637659567, 0.00025974846043758104)
('sublsum', -3.7866304212101847)
(1.0, -39385.870576004374, 3.8849918355121638e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59803284 0.36393195 0.03803521], NP=0.3707187730922008), CompositionSet(BCC_A2, [ 0.12436276 0.77090876 0.10472848], NP=0.6292812269077992)])
('step', array([ -1.06464888e-02, 9.61898357e-03, 1.02750527e-03,
5.05281442e-08, -8.46980723e-05, 8.46475442e-05,
7.39102949e-04, -6.38778192e-04, -1.00324757e-04,
0.00000000e+00, 4.95740472e-03, -4.95740472e-03]))
('conv_angle', 55.545659991295253)
('Site fractions', array([ 8.97048227e-01, 4.63558987e-02, 5.65958741e-02,
2.06230114e-06, 9.99084055e-01, 9.13883122e-04,
1.24362759e-01, 7.70908760e-01, 1.04728480e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.37071877, 0.62928123]))
('Chemical potentials', array([-41860.42270422, -37088.97631371, -47940.62770753]))
('Chem pot progress', array([ 39.06263801, -4.53029091, -14.86578484]))
('Energy progress', -1.6465008149752975)
('Driving force', 1.8947679979610257)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59803284 0.36393195 0.03803521], NP=0.3707187730922008), CompositionSet(BCC_A2, [ 0.12436276 0.77090876 0.10472848], NP=0.6292812269077992)])
('reduced_hessian eigenvalues', array([ 4.82683190e+03, 1.36931753e+04, 3.30887999e+04,
4.75718391e+05, 2.83091086e+08]))
('NEW_L_MULTIPLIERS', array([ -2566.01029123, -8758.83455158, 5340.79290669, -16664.71092302,
-41851.19192518, -37090.52709389, -47940.33382482]))
('L_CONSTRAINTS', array([ -3.46944695e-17, 7.63278329e-17, 6.93889390e-17,
0.00000000e+00, -3.88499184e-05, 3.48168509e-05,
4.03306746e-06]))
('penalty', 10000)
('old_driving_force', -39385.870164581327, 3.8849918355121638e-05)
('sublsum', -0.061448484689847163)
(1.0, -39386.665528295736, 6.3268955230455504e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59710327 0.36483697 0.03805976], NP=0.37127765812219404), CompositionSet(BCC_A2, [ 0.12455143 0.77068172 0.10476684], NP=0.628722341877806)])
('step', array([ -1.39434933e-03, 1.36487607e-03, 2.94732590e-05,
4.27566556e-09, -1.46968387e-05, 1.46925630e-05,
1.88675456e-04, -2.27038282e-04, 3.83628257e-05,
0.00000000e+00, 5.58885030e-04, -5.58885030e-04]))
('conv_angle', 51.97700081674158)
('Site fractions', array([ 8.95653878e-01, 4.77207748e-02, 5.66253473e-02,
2.06657680e-06, 9.99069358e-01, 9.28575685e-04,
1.24551435e-01, 7.70681722e-01, 1.04766843e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.37127766, 0.62872234]))
('Chemical potentials', array([-41851.19192518, -37090.52709389, -47940.33382482]))
('Chem pot progress', array([ 9.23077904, -1.55078017, 0.2938827 ]))
('Energy progress', -0.16915353377407882)
('Driving force', 0.032899661571718752)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59710327 0.36483697 0.03805976], NP=0.37127765812219404), CompositionSet(BCC_A2, [ 0.12455143 0.77068172 0.10476684], NP=0.628722341877806)])
('reduced_hessian eigenvalues', array([ 4.79562319e+03, 1.34974477e+04, 3.26881119e+04,
4.68841983e+05, 2.82894858e+08]))
('NEW_L_MULTIPLIERS', array([ -2566.06104565, -8758.8744912 , 5340.73731474, -16664.49802388,
-41851.02307608, -37090.5561548 , -47940.33071514]))
('L_CONSTRAINTS', array([ 2.08166817e-17, 3.02492406e-17, -1.38777878e-17,
0.00000000e+00, -6.24967737e-07, 6.32689552e-07,
-7.72181567e-09]))
('penalty', 10000)
('old_driving_force', -39386.665528171805, 6.3268955230455504e-07)
('sublsum', -1.3497135467193567e-05)
(1.0, -39386.678186092307, 1.3100986961944727e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59708953 0.36485047 0.03806 ], NP=0.37128505864394784), CompositionSet(BCC_A2, [ 0.12455498 0.77067752 0.1047675 ], NP=0.6287149413560522)])
('step', array([ -2.06100472e-05, 2.03798545e-05, 2.30192683e-07,
6.43354101e-11, -2.56966447e-07, 2.56902112e-07,
3.54559743e-06, -4.20187778e-06, 6.56280353e-07,
0.00000000e+00, 7.40052175e-06, -7.40052175e-06]))
('conv_angle', 50.742898563598096)
('Site fractions', array([ 8.95633268e-01, 4.77411546e-02, 5.66255775e-02,
2.06664114e-06, 9.99069101e-01, 9.28832587e-04,
1.24554980e-01, 7.70677520e-01, 1.04767499e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.37128506, 0.62871494]))
('Chemical potentials', array([-41851.02307608, -37090.5561548 , -47940.33071514]))
('Chem pot progress', array([ 0.1688491 , -0.02906092, 0.00310968]))
('Energy progress', -0.003065025382966269)
('Driving force', 7.3000628617592156e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59708953 0.36485047 0.03806 ], NP=0.37128505864394784), CompositionSet(BCC_A2, [ 0.12455498 0.77067752 0.1047675 ], NP=0.6287149413560522)])
('reduced_hessian eigenvalues', array([ 4.79633953e+03, 1.34958724e+04, 3.26818285e+04,
4.68719831e+05, 2.82891180e+08]))
('NEW_L_MULTIPLIERS', array([ -2566.06108421, -8758.87447288, 5340.73728383, -16664.49800263,
-41851.02303683, -37090.55616988, -47940.33065424]))
('L_CONSTRAINTS', array([ -3.46944695e-17, -5.13911830e-17, 8.32667268e-17,
0.00000000e+00, -1.27922450e-10, 1.31009870e-10,
-3.08737758e-12]))
('penalty', 10000)
('old_driving_force', -39386.678186092307, 1.3100986961944727e-10)
('sublsum', -7.5472585405896606e-13)
(1.0, -39386.678188712474, 1.5829351718288365e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59708953 0.36485047 0.03806 ], NP=0.37128506118664356), CompositionSet(BCC_A2, [ 0.12455498 0.77067752 0.1047675 ], NP=0.6287149388133565)])
('step', array([ -4.98967944e-09, 4.87118175e-09, 1.18497725e-10,
1.19984405e-14, -1.32560240e-10, 1.32548293e-10,
2.56828081e-10, -4.58778043e-10, 2.01949879e-10,
0.00000000e+00, 2.54269574e-09, -2.54269574e-09]))
('conv_angle', 57.801426262417777)
('Site fractions', array([ 8.95633263e-01, 4.77411595e-02, 5.66255777e-02,
2.06664115e-06, 9.99069101e-01, 9.28832720e-04,
1.24554981e-01, 7.70677520e-01, 1.04767500e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.37128506, 0.62871494]))
('Chemical potentials', array([-41851.02303683, -37090.55616988, -47940.33065424]))
('Chem pot progress', array([ 3.92502043e-05, -1.50759442e-05, 6.09010021e-05]))
('Energy progress', -6.42445229459554e-07)
('Driving force', 2.1827872842550278e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.12455498 0.77067752 0.1047675 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.12455498 0.77067752 0.1047675 ], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.12455498 0.77067752 0.1047675 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.12455491 0.7706776 0.10476749], NP=1.0), -1.6007106751203537e-10), (CompositionSet(BCC_A2, [ 0.12455492 0.77067759 0.10476749], NP=1.0), -1.3096723705530167e-10), (CompositionSet(BCC_A2, [ 0.12455498 0.77067752 0.1047675 ], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12455497 0.77067752 0.1047675 ], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.59708954 0.36485046 0.03806 ], NP=1.0), -2.9103830456733704e-11)], 'HCP_A3': []})
No progress
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.5737499957974949), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.4262499949712401), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=9.231265088027307e-09)])
('reduced_hessian eigenvalues', array([ -1.47268610e-01, -5.07800356e-03, 7.03378105e+03,
3.63496860e+13, 3.34161710e+14, 6.20651178e+14,
1.01718578e+15, 1.69251373e+15]))
('reduced_hessian modified eigenvalues', array([ -8.52844374e-02, 1.24346592e-01, 7.03388261e+03,
3.63496860e+13, 3.34161710e+14, 6.20651178e+14,
1.01718578e+15, 1.69251373e+15]))
('NEW_L_MULTIPLIERS', array([ -3.50982750e+03, -1.27362973e+04, 3.56430005e+03,
-1.62646988e+04, -2.73879266e-03, 7.87713447e-03,
-4.19796642e+04, -3.67468947e+04, 1.07805190e+04]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.99922887e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, -2.22044605e-16, -2.06795153e-25]))
('penalty', 10000)
('old_driving_force', -38324.777056289626, 2.2204460492503131e-16)
('sublsum', -201.19908878634811)
(1.0, -38276.131645726724, 0.0043459528702883832)
(0.5, -35135.289974692787, 0.32391088535302714)
(0.25, -33091.801320470542, 0.52712054817291809)
(0.125, -36381.048750592628, 0.19659277465754532)
(0.0625, -38160.911190802406, 0.017571086173596373)
(0.03125, -38330.882927813567, 4.2445315244776793e-06)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 5.94686214e-01 4.05313786e-01 2.29140179e-12], NP=0.5717229487400395), CompositionSet(HCP_A3, [ 2.14612684e-12 1.00000000e+00 2.57655748e-12], NP=0.42827705184392884), CompositionSet(BCC_A2, [ 0.07193976 0.704929 0.22313124], NP=1e-12)])
('step', array([ 1.00493845e-01, -1.00493845e-01, 4.33724240e-11,
1.76920980e-11, -5.49212334e-11, 3.72297238e-11,
3.66760588e-11, -8.71257432e-11, 5.04498393e-11,
0.00000000e+00, -2.86434702e+00, -8.12838651e-01,
3.67718567e+00, 0.00000000e+00, -6.48655058e-02,
6.48658199e-02, -3.14087465e-07]))
('conv_angle', 89.984532635359514)
('Site fractions', array([ 8.92029322e-01, 1.07970678e-01, 2.35538825e-12,
1.55287806e-12, 1.00000000e+00, 2.16342887e-12,
2.14612684e-12, 1.00000000e+00, 2.57655748e-12,
1.00000000e+00, 7.19397581e-02, 7.04929003e-01,
2.23131239e-01, 1.00000000e+00]))
('Phase fractions', array([ 5.71722949e-01, 4.28277052e-01, 1.00000000e-12]))
('Chemical potentials', array([-41979.66424646, -36746.89474781, 10780.51896636]))
('Chem pot progress', array([ -5.92253658e+02, 1.61990008e-01, 6.13964132e+04]))
('Energy progress', -6.1686228274920722)
('Driving force', 195.06851199598896)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.94686214e-01 4.05313786e-01 2.29140179e-12], NP=0.5717229487400395), CompositionSet(HCP_A3, [ 2.14612684e-12 1.00000000e+00 2.57655748e-12], NP=0.42827705184392884), CompositionSet(BCC_A2, [ 0.07193976 0.704929 0.22313124], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -4.79232705e-02, 9.87043596e-02, 7.06762485e+03,
8.18883016e+13, 2.69978086e+14, 4.51124222e+14,
7.72289766e+14, 1.13585576e+15]))
('reduced_hessian modified eigenvalues', array([ 1.34366153e-02, 1.27188358e-01, 7.06773422e+03,
8.18883016e+13, 2.69978086e+14, 4.51124222e+14,
7.72289766e+14, 1.13585576e+15]))
('NEW_L_MULTIPLIERS', array([ -3.56825334e+03, -1.27432827e+04, 3.56086530e+03,
-1.62469448e+04, -4.56358511e-05, -1.65845249e-04,
-4.18974026e+04, -3.67470612e+04, -1.67914905e+04]))
('L_CONSTRAINTS', array([ -1.30308742e-16, -1.73760089e-16, -1.59141048e-16,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-4.24294919e-06, 4.24453152e-06, -9.97363341e-10]))
('penalty', 10000)
('old_driving_force', -38330.882605574581, 4.2445315244776793e-06)
('sublsum', -188.47970241849163)
(1.0, -38282.224725691267, 0.004038111235463715)
(0.5, -38376.787978765431, 0.0010116500746282231)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 6.27092938e-01 3.72907062e-01 2.72524764e-11], NP=0.540571148701957), CompositionSet(HCP_A3, [ 2.63081743e-11 1.00000000e+00 4.06192655e-11], NP=0.4594288494913228), CompositionSet(BCC_A2, [ 0.1144347 0.72824867 0.15731663], NP=2.099204480735874e-09)])
('step', array([ 9.72201696e-02, -9.72201697e-02, 5.44066918e-11,
1.97993204e-11, -6.07522974e-11, 4.09530640e-11,
4.83240949e-11, -1.24409369e-10, 7.60854160e-11,
0.00000000e+00, 8.49898801e-02, 4.66393393e-02,
-1.31629219e-01, 0.00000000e+00, -6.23036001e-02,
6.23035953e-02, 4.19640896e-09]))
('conv_angle', 89.66220832586383)
('Site fractions', array([ 9.40639406e-01, 5.93605936e-02, 2.95587341e-11,
1.14525383e-11, 1.00000000e+00, 2.26399609e-11,
2.63081743e-11, 1.00000000e+00, 4.06192655e-11,
1.00000000e+00, 1.14434698e-01, 7.28248673e-01,
1.57316629e-01, 1.00000000e+00]))
('Phase fractions', array([ 5.40571149e-01, 4.59428849e-01, 2.09920448e-09]))
('Chemical potentials', array([-41897.40263236, -36747.06118404, -16791.49054804]))
('Chem pot progress', array([ 8.22616141e+01, -1.66436232e-01, -2.75720095e+04]))
('Energy progress', -60.86498313638003)
('Driving force', 101.15627402965765)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.27092938e-01 3.72907062e-01 2.72524764e-11], NP=0.540571148701957), CompositionSet(HCP_A3, [ 2.63081743e-11 1.00000000e+00 4.06192655e-11], NP=0.4594288494913228), CompositionSet(BCC_A2, [ 0.1144347 0.72824867 0.15731663], NP=2.099204480735874e-09)])
('reduced_hessian eigenvalues', array([ 3.63429381e-03, 1.22348416e-02, 1.35433949e+04,
3.07391921e+12, 2.53021173e+13, 3.47449159e+13,
7.42037224e+13, 9.33906978e+13]))
('NEW_L_MULTIPLIERS', array([ -3.69928520e+03, -1.29546250e+04, 3.39743267e+03,
-1.55010689e+04, 1.50168070e-05, -5.93285758e-05,
-4.16270367e+04, -3.67470569e+04, -4.29565229e+04]))
('L_CONSTRAINTS', array([ -8.65386719e-17, -1.51121532e-16, -1.31269548e-16,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-1.01164915e-03, 1.01165007e-03, -6.36366662e-10]))
('penalty', 10000)
('old_driving_force', -38376.514484217194, 0.0010116500746282231)
('sublsum', -11.390909935550152)
(1.0, -38399.639521230194, 0.00010254802278164554)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.38975671e-01 3.61024328e-01 5.84871141e-10], NP=0.5319411455180577), CompositionSet(HCP_A3, [ 5.30797557e-10 9.99999999e-01 8.85756996e-10], NP=0.4680588522546379), CompositionSet(BCC_A2, [ 0.13669412 0.7410569 0.12224898], NP=2.2273044078047275e-09)])
('step', array([ 1.78241002e-02, -1.78241008e-02, 6.38617198e-10,
1.28701221e-10, -5.24322680e-10, 3.95621597e-10,
5.04489382e-10, -1.34962699e-09, 8.45137731e-10,
0.00000000e+00, 2.22594198e-02, 1.28082258e-02,
-3.50676456e-02, 0.00000000e+00, -8.63000318e-03,
8.63000276e-03, 1.28099927e-10]))
('conv_angle', 89.887901734652957)
('Site fractions', array([ 9.58463507e-01, 4.15364928e-02, 6.68175932e-10,
1.40153759e-10, 9.99999999e-01, 4.18261558e-10,
5.30797557e-10, 9.99999999e-01, 8.85756996e-10,
1.00000000e+00, 1.36694118e-01, 7.41056899e-01,
1.22248984e-01, 1.00000000e+00]))
('Phase fractions', array([ 5.31941146e-01, 4.68058852e-01, 2.22730441e-09]))
('Chemical potentials', array([-41627.03666198, -36747.05692942, -42956.52294177]))
('Chem pot progress', array([ 2.70365970e+02, 4.25462092e-03, -2.61650324e+04]))
('Energy progress', -9.379387156863231)
('Driving force', 4.5595581335219322)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.38975671e-01 3.61024328e-01 5.84871141e-10], NP=0.5319411455180577), CompositionSet(HCP_A3, [ 5.30797557e-10 9.99999999e-01 8.85756996e-10], NP=0.4680588522546379), CompositionSet(BCC_A2, [ 0.13669412 0.7410569 0.12224898], NP=2.2273044078047275e-09)])
('reduced_hessian eigenvalues', array([ -2.87039006e-04, 1.95486271e-04, 2.01105731e+04,
8.91684650e+10, 1.41027990e+12, 1.66490541e+12,
3.61332136e+12, 6.64380847e+12]))
('reduced_hessian modified eigenvalues', array([ 3.36748204e-04, 7.77143397e-04, 2.01105722e+04,
8.91684650e+10, 1.41027990e+12, 1.66490541e+12,
3.61332136e+12, 6.64380847e+12]))
('NEW_L_MULTIPLIERS', array([ -3.70449258e+03, -1.29674151e+04, 3.38611709e+03,
-1.54494329e+04, -8.09386916e-04, 2.97442564e-03,
-4.16146412e+04, -3.67470604e+04, -9.42875651e+03]))
('L_CONSTRAINTS', array([ 1.46411077e-17, 2.16867419e-17, -2.68405498e-17,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-1.02548021e-04, 1.02548023e-04, -2.01087242e-12]))
('penalty', 10000)
('old_driving_force', -38399.638249679068, 0.00010254802278164554)
('sublsum', -0.33638528813338325)
(1.0, -30383.013957778898, 0.80187944199087635)
(0.5, -33952.353547002764, 0.44484233698344089)
(0.25, -36787.254439363642, 0.16129667672869955)
(0.125, -38204.694729719216, 0.019523846601328686)
(0.0625, -38399.786590473414, 9.615248718042313e-05)
('alpha', 0.0625)
('Phases', [CompositionSet(LAVES_C15, [ 6.38870658e-01 3.61129341e-01 1.41215748e-09], NP=0.5320385995732636), CompositionSet(HCP_A3, [ 1.05419058e-09 9.99999997e-01 2.09479702e-09], NP=0.46796140513551343), CompositionSet(BCC_A2, [ 0.20377912 0.74485831 0.05136257], NP=1e-12)])
('step', array([ -2.52032299e-03, 2.52030724e-03, 1.57564937e-08,
1.25744214e-09, -9.45419894e-09, 8.19675662e-09,
8.37428842e-09, -2.77189287e-08, 1.93446403e-08,
0.00000000e+00, 1.07336010e+00, 6.08225434e-02,
-1.13418264e+00, 0.00000000e+00, 1.55926488e-03,
-1.55915391e-03, -1.10977303e-07]))
('conv_angle', 89.999891321202952)
('Site fractions', array([ 9.58305986e-01, 4.16940120e-02, 1.65295679e-09,
2.18743893e-10, 9.99999999e-01, 9.30558847e-10,
1.05419058e-09, 9.99999997e-01, 2.09479702e-09,
1.00000000e+00, 2.03779124e-01, 7.44858308e-01,
5.13625685e-02, 1.00000000e+00]))
('Phase fractions', array([ 5.32038600e-01, 4.67961405e-01, 1.00000000e-12]))
('Chemical potentials', array([-41614.64120216, -36747.06037982, -9428.756507 ]))
('Chem pot progress', array([ 1.23954598e+01, -3.45040003e-03, 3.35277664e+04]))
('Energy progress', -0.05170078605442541)
('Driving force', 0.32821947584307054)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.38870658e-01 3.61129341e-01 1.41215748e-09], NP=0.5320385995732636), CompositionSet(HCP_A3, [ 1.05419058e-09 9.99999997e-01 2.09479702e-09], NP=0.46796140513551343), CompositionSet(BCC_A2, [ 0.20377912 0.74485831 0.05136257], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -1.24008148e-01, 3.38250721e-05, 2.00315716e+04,
7.10751352e+09, 6.50595763e+11, 7.31787968e+11,
1.66722233e+12, 4.06715619e+12]))
('reduced_hessian modified eigenvalues', array([ 1.54064441e-05, 1.23862596e-01, 2.00315717e+04,
7.10751352e+09, 6.50595763e+11, 7.31787968e+11,
1.66722233e+12, 4.06715619e+12]))
('NEW_L_MULTIPLIERS', array([ -3.70454820e+03, -1.29674514e+04, 3.38608587e+03,
-1.54492696e+04, 5.86877726e-03, 3.09962060e-02,
-4.16145563e+04, -3.67470693e+04, 7.06387931e+04]))
('L_CONSTRAINTS', array([ 4.02547222e-17, -5.32572110e-18, 1.35759186e-17,
0.00000000e+00, -2.77555756e-17, 0.00000000e+00,
-9.61485091e-05, 9.61524872e-05, 7.31657804e-10]))
('penalty', 10000)
('old_driving_force', -38399.786640034748, 9.615248718042313e-05)
('sublsum', -0.30197313043134011)
(1.0, -38051.484898285271, 0.035033499526369492)
(0.5, -38134.059639453662, 0.026679121790172199)
(0.25, -38400.330710073598, 7.2465320140269185e-05)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 6.38475331e-01 3.61524656e-01 1.30136520e-08], NP=0.53240552959805), CompositionSet(HCP_A3, [ 5.03269166e-09 9.99999976e-01 1.88538608e-08], NP=0.46759475035371684), CompositionSet(BCC_A2, [ 0.16159272 0.82606556 0.01234172], NP=1e-12)])
('step', array([ -2.37196302e-03, 2.37190730e-03, 5.57267131e-08,
1.86458627e-09, -2.96290949e-08, 2.77645086e-08,
1.59140043e-08, -8.29502593e-08, 6.70362550e-08,
0.00000000e+00, -1.68745624e-01, 3.24829005e-01,
-1.56083381e-01, 0.00000000e+00, 1.46772010e-03,
-1.46661913e-03, -1.10568174e-06]))
('conv_angle', 89.999717196799878)
('Site fractions', array([ 9.57712996e-01, 4.22869888e-02, 1.55846351e-08,
6.84890461e-10, 9.99999991e-01, 7.87168599e-09,
5.03269166e-09, 9.99999976e-01, 1.88538608e-08,
1.00000000e+00, 1.61592718e-01, 8.26065559e-01,
1.23417233e-02, 1.00000000e+00]))
('Phase fractions', array([ 5.32405530e-01, 4.67594750e-01, 1.00000000e-12]))
('Chemical potentials', array([-41614.55632837, -36747.06932625, 70638.79309069]))
('Chem pot progress', array([ 8.48737813e-02, -8.94642846e-03, 8.00675496e+04]))
('Energy progress', -0.19303262735775206)
('Driving force', 0.23728287882840959)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.38475331e-01 3.61524656e-01 1.30136520e-08], NP=0.53240552959805), CompositionSet(HCP_A3, [ 5.03269166e-09 9.99999976e-01 1.88538608e-08], NP=0.46759475035371684), CompositionSet(BCC_A2, [ 0.16159272 0.82606556 0.01234172], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -1.71907547e+02, 1.88437312e-05, 1.97282690e+04,
4.41241569e+07, 8.03639705e+10, 9.03585555e+10,
3.07732198e+11, 1.23092332e+12]))
('reduced_hessian modified eigenvalues', array([ 4.68037744e-06, 1.71907550e+02, 1.97282689e+04,
4.41241569e+07, 8.03639705e+10, 9.03585555e+10,
3.07732198e+11, 1.23092332e+12]))
('NEW_L_MULTIPLIERS', array([ -3.70468629e+03, -1.29678201e+04, 3.38623819e+03,
-1.54496833e+04, 1.52516999e+00, 1.19255966e+00,
-4.16144447e+04, -3.67471948e+04, 8.83098546e+04]))
('L_CONSTRAINTS', array([ 8.22979958e-17, 1.69463880e-17, 6.86286409e-17,
0.00000000e+00, -4.16333634e-17, 0.00000000e+00,
-7.22001119e-05, 7.24653201e-05, 1.47445190e-08]))
('penalty', 10000)
('old_driving_force', -38400.330953471326, 7.2465320140269185e-05)
('sublsum', -0.22968160298606938)
(1.0, -38401.550010143343, 3.6743853791487702e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37268900e-01 3.62730655e-01 4.44405852e-07], NP=0.5335354078610134), CompositionSet(HCP_A3, [ 7.32190457e-08 9.99999300e-01 6.26609158e-07], NP=0.4665074222579059), CompositionSet(BCC_A2, [ 0.1708407 0.82792878 0.00123051], NP=1e-12)])
('step', array([ -1.80964788e-03, 1.80911943e-03, 5.28450560e-07,
5.05104502e-09, -2.42326524e-07, 2.37275479e-07,
6.81863541e-08, -6.75941651e-07, 6.07755297e-07,
0.00000000e+00, 9.24798544e-03, 1.86322573e-03,
-1.11112112e-02, 0.00000000e+00, 1.12987826e-03,
-1.08732810e-03, -4.28301199e-05]))
('conv_angle', 89.994211191624871)
('Site fractions', array([ 9.55903348e-01, 4.40961083e-02, 5.44035196e-07,
5.73593549e-09, 9.99999749e-01, 2.45147165e-07,
7.32190457e-08, 9.99999300e-01, 6.26609158e-07,
1.00000000e+00, 1.70840703e-01, 8.27928784e-01,
1.23051217e-03, 1.00000000e+00]))
('Phase fractions', array([ 5.33535408e-01, 4.66507422e-01, 1.00000000e-12]))
('Chemical potentials', array([-41614.44472198, -36747.19484259, 88309.85456336]))
('Chem pot progress', array([ 1.11606393e-01, -1.25516337e-01, 1.76710615e+04]))
('Energy progress', -2.0783835300899227)
('Driving force', 0.081360313299228437)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37268900e-01 3.62730655e-01 4.44405852e-07], NP=0.5335354078610134), CompositionSet(HCP_A3, [ 7.32190457e-08 9.99999300e-01 6.26609158e-07], NP=0.4665074222579059), CompositionSet(BCC_A2, [ 0.1708407 0.82792878 0.00123051], NP=1e-12)])
('reduced_hessian eigenvalues', array([ -1.03543405e+05, -1.25855149e-06, 1.88419189e+04,
1.16611319e+05, 2.61680932e+09, 2.77482088e+09,
2.00813717e+10, 1.44013656e+11]))
('reduced_hessian modified eigenvalues', array([ -2.68567281e-06, 1.88419190e+04, 1.03543405e+05,
1.16611319e+05, 2.61680932e+09, 2.77482088e+09,
2.00813717e+10, 1.44013656e+11]))
('NEW_L_MULTIPLIERS', array([ -3748.63455442, -13027.12747077, 3300.01015835, -15567.33525812,
143.11501665, 80.05050244, -41581.74662074, -36531.70668878,
-79752.53472308]))
('L_CONSTRAINTS', array([ 3.74509265e-17, -3.80905422e-18, -1.09128443e-16,
0.00000000e+00, -2.60208521e-17, 0.00000000e+00,
5.55784205e-06, 3.67438538e-05, 5.28424082e-07]))
('penalty', 10000)
('old_driving_force', -38401.4693015257, 3.6743853791487702e-05)
('sublsum', -1.5852007417619607)
(1.0, -38372.108133229936, 0.0025237258716520605)
(0.5, -38386.79479033938, 0.0012801894756899745)
(0.25, -38394.134330354071, 0.00065845531798280899)
(0.125, -38397.802605741839, 0.0003475967491974874)
(0.0625, -38399.636202626927, 0.00019216959232215558)
(0.03125, -38400.552824380298, 0.00011445654576380804)
(0, -38401.4693015257, 3.6743853791487702e-05)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37268900e-01 3.62730655e-01 4.44405852e-07], NP=0.5335354078610134), CompositionSet(HCP_A3, [ 7.32190457e-08 9.99999300e-01 6.26609158e-07], NP=0.4665074222579059), CompositionSet(BCC_A2, [ 0.1708407 0.82792878 0.00123051], NP=1e-12)])
('step', array([ -2.97708565e-04, 2.93804489e-04, 3.90407556e-06,
2.99323195e-08, -8.91176427e-07, 8.61244107e-07,
7.99913177e-07, -4.39832853e-06, 3.59841536e-06,
0.00000000e+00, 3.00794316e-03, -2.85579968e-03,
-1.52143479e-04, 0.00000000e+00, 9.73971290e-04,
2.03121959e-03, -3.04802100e-03]))
('conv_angle', 89.650240390956412)
('Site fractions', array([ 9.55903348e-01, 4.40961083e-02, 5.44035196e-07,
5.73593549e-09, 9.99999749e-01, 2.45147165e-07,
7.32190457e-08, 9.99999300e-01, 6.26609158e-07,
1.00000000e+00, 1.70840703e-01, 8.27928784e-01,
1.23051217e-03, 1.00000000e+00]))
('Phase fractions', array([ 5.33535408e-01, 4.66507422e-01, 1.00000000e-12]))
('Chemical potentials', array([-41581.74662074, -36531.70668878, -79752.53472308]))
('Chem pot progress', array([ 3.26981012e+01, 2.15488154e+02, -1.68062389e+05]))
('Energy progress', 0.0)
('Driving force', -153.17729890518967)
Removing CompositionSet(BCC_A2, [ 0.1708407 0.82792878 0.00123051], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37268900e-01 3.62730655e-01 4.44405852e-07], NP=0.5335354078610134), CompositionSet(HCP_A3, [ 7.32190457e-08 9.99999300e-01 6.26609158e-07], NP=0.4665074222579059)])
('reduced_hessian eigenvalues', array([ 1.88010502e+04, 2.61673677e+09, 2.76623822e+09,
1.98273804e+10, 1.43878029e+11]))
('NEW_L_MULTIPLIERS', array([ -3704.76739496, -12967.76551917, 3385.79694594,
-15447.80913941, -41614.10842777, -36747.08955524,
-130645.4921837 ]))
('L_CONSTRAINTS', array([ 3.74509265e-17, -3.80905422e-18, -1.09128443e-16,
0.00000000e+00, 5.55784188e-06, 3.67438530e-05,
5.28424081e-07]))
('penalty', 1000.0)
('old_driving_force', -38401.819785683823, 3.6743852963594392e-05)
('sublsum', -0.037646599620501535)
(1.0, -38401.888672559988, 2.2865536688501717e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37241803e-01 3.62757801e-01 4.07704681e-07], NP=0.5335487888286847), CompositionSet(HCP_A3, [ 8.71415468e-07 9.99999357e-01 1.00000000e-12], NP=0.46645121117131527)])
('step', array([ -4.06612649e-05, 4.05937436e-05, 6.75213258e-08,
3.00233882e-08, 8.32663693e-07, -8.62687081e-07,
7.98196422e-07, 5.70671025e-08, -8.55263525e-07,
0.00000000e+00, 1.33809677e-05, -5.62110866e-05]))
('conv_angle', 89.30514253266827)
('Site fractions', array([ 9.55862686e-01, 4.41367020e-02, 6.11556521e-07,
3.57593237e-08, 1.00000000e+00, 1.00000000e-12,
8.71415468e-07, 9.99999357e-01, 1.00000000e-12,
1.00000000e+00]))
('Phase fractions', array([ 0.53354879, 0.46645121]))
('Chemical potentials', array([ -41614.10842777, -36747.08955524, -130645.4921837 ]))
('Chem pot progress', array([ -3.23618070e+01, -2.15382866e+02, -5.08929575e+04]))
('Energy progress', 1.5997368028620258)
('Driving force', -0.01288563858543057)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37241803e-01 3.62757801e-01 4.07704681e-07], NP=0.5335487888286847), CompositionSet(HCP_A3, [ 8.71415468e-07 9.99999357e-01 1.00000000e-12], NP=0.46645121117131527)])
('reduced_hessian eigenvalues', array([ 1.88320298e+04, 1.37723664e+09, 1.73445834e+10,
3.81877905e+14, 8.23002313e+14]))
('NEW_L_MULTIPLIERS', array([ -3704.8125773 , -12967.52201297, 3386.12765831,
-15447.98073562, -41613.83643485, -36747.56546654,
-137920.96316648]))
('L_CONSTRAINTS', array([ -3.69918346e-17, 3.57603237e-08, 2.28655367e-07,
0.00000000e+00, -4.07458289e-10, -1.03106815e-07,
2.16530805e-07]))
('penalty', 10000)
('old_driving_force', -38401.881837182758, 2.2865536688501717e-07)
('sublsum', -0.21158577386359861)
(1.0, -38402.060057763832, 3.4697134054795242e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37245784e-01 3.62754215e-01 1.86617105e-09], NP=0.5335400816587781), CompositionSet(HCP_A3, [ 8.21434196e-06 9.99991786e-01 1.68434356e-11], NP=0.46645991833933476)])
('step', array([ 5.91006719e-06, -5.30130373e-06, -6.08763455e-07,
1.21728917e-07, -1.57500621e-07, 1.13799962e-11,
7.34292649e-06, -7.57159770e-06, 1.58434356e-11,
0.00000000e+00, -8.70716991e-06, 8.70716802e-06]))
('conv_angle', 75.944420552102201)
('Site fractions', array([ 9.55868597e-01, 4.41314007e-02, 2.79306658e-09,
1.57488241e-07, 9.99999842e-01, 1.23799962e-11,
8.21434196e-06, 9.99991786e-01, 1.68434356e-11,
1.00000000e+00]))
('Phase fractions', array([ 0.53354008, 0.46645992]))
('Chemical potentials', array([ -41613.83643485, -36747.56546654, -137920.96316648]))
('Chem pot progress', array([ 2.71992920e-01, -4.75911297e-01, -7.27547098e+03]))
('Energy progress', -0.1466293557168683)
('Driving force', 0.037633633059158456)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37245784e-01 3.62754215e-01 1.86617105e-09], NP=0.5335400816587781), CompositionSet(HCP_A3, [ 8.21434196e-06 9.99991786e-01 1.68434356e-11], NP=0.46645991833933476)])
('reduced_hessian eigenvalues', array([ 1.88322822e+04, 1.46199918e+08, 3.93505289e+09,
3.88505425e+13, 8.18350320e+13]))
('NEW_L_MULTIPLIERS', array([ -3704.97649883, -12966.12595794, 3387.91920076,
-15448.83909688, -41612.58627398, -36749.76479453,
-170060.62906881]))
('L_CONSTRAINTS', array([ -3.90624067e-17, 1.02681690e-17, 2.00336251e-17,
0.00000000e+00, 2.92760816e-11, -3.46971341e-11,
3.53384281e-12]))
('penalty', 10000)
('old_driving_force', -38402.060057650371, 3.4697134054795242e-11)
('sublsum', -1.0641636810435717)
(1.0, -38402.902038241547, 1.7457344458904345e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37262441e-01 3.62737557e-01 1.80484489e-09], NP=0.5334889496641245), CompositionSet(HCP_A3, [ 5.90134523e-05 9.99940986e-01 7.96155656e-11], NP=0.4665110503358756)])
('step', array([ 2.48349261e-05, -2.48348283e-05, -9.78187752e-11,
3.02680999e-07, -3.02692658e-07, 1.16590637e-11,
5.07991104e-05, -5.07991732e-05, 6.27721300e-11,
0.00000000e+00, -5.11319947e-05, 5.11319965e-05]))
('conv_angle', 66.351710257380674)
('Site fractions', array([ 9.55893431e-01, 4.41065659e-02, 2.69524780e-09,
4.60169240e-07, 9.99999540e-01, 2.40390599e-11,
5.90134523e-05, 9.99940986e-01, 7.96155656e-11,
1.00000000e+00]))
('Phase fractions', array([ 0.53348895, 0.46651105]))
('Chemical potentials', array([ -41612.58627398, -36749.76479453, -170060.62906881]))
('Chem pot progress', array([ 1.25016087e+00, -2.19932800e+00, -3.21396659e+04]))
('Energy progress', -0.8420227767055621)
('Driving force', 0.22215283922560047)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37262441e-01 3.62737557e-01 1.80484489e-09], NP=0.5334889496641245), CompositionSet(HCP_A3, [ 5.90134523e-05 9.99940986e-01 7.96155656e-11], NP=0.4665110503358756)])
('reduced_hessian eigenvalues', array([ 1.88401430e+04, 2.03442845e+07, 1.34609804e+09,
1.02039933e+13, 3.49555361e+13]))
('NEW_L_MULTIPLIERS', array([ -3705.09264149, -12960.11071527, 3394.82790548,
-15452.27121924, -41608.52723324, -36756.89680367,
-170656.85112608]))
('L_CONSTRAINTS', array([ -4.03805719e-17, -4.41784197e-17, 2.91826414e-17,
0.00000000e+00, 1.74572823e-09, -1.74573445e-09,
6.34539928e-15]))
('penalty', 10000)
('old_driving_force', -38402.902038261083, 1.7457344458904345e-09)
('sublsum', -3.5490975968634233)
(1.0, -38405.572491463841, 4.4317677638794351e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37316238e-01 3.62683761e-01 1.65952643e-09], NP=0.5332617270772984), CompositionSet(HCP_A3, [ 3.07850669e-04 9.99692149e-01 2.46624382e-10], NP=0.4667382729227016)])
('step', array([ 8.04992620e-05, -8.04990416e-05, -2.20365511e-10,
3.91628521e-07, -3.91633296e-07, 4.77564222e-12,
2.48837216e-04, -2.48837383e-04, 1.67008816e-10,
0.00000000e+00, -2.27222587e-04, 2.27222587e-04]))
('conv_angle', 63.046436694985104)
('Site fractions', array([ 9.55973931e-01, 4.40260668e-02, 2.47488229e-09,
8.51797761e-07, 9.99999148e-01, 2.88147021e-11,
3.07850669e-04, 9.99692149e-01, 2.46624382e-10,
1.00000000e+00]))
('Phase fractions', array([ 0.53326173, 0.46673827]))
('Chemical potentials', array([ -41608.52723324, -36756.89680367, -170656.85112608]))
('Chem pot progress', array([ 4.05904074, -7.13200914, -596.22205728]))
('Energy progress', -2.6715111932862783)
('Driving force', 0.8779009566133027)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37316238e-01 3.62683761e-01 1.65952643e-09], NP=0.5332617270772984), CompositionSet(HCP_A3, [ 3.07850669e-04 9.99692149e-01 2.46624382e-10], NP=0.4667382729227016)])
('reduced_hessian eigenvalues', array([ 1.88586986e+04, 3.89150683e+06, 7.26796236e+08,
3.74427729e+12, 2.79196300e+13]))
('NEW_L_MULTIPLIERS', array([ -3703.55769348, -12943.14709329, 3411.79822516,
-15461.13855329, -41601.2073985 , -36769.75964474,
-171478.12064569]))
('L_CONSTRAINTS', array([ 1.44620945e-17, -2.62966919e-17, -5.64163399e-18,
0.00000000e+00, 4.43176065e-08, -4.43176776e-08,
7.09678462e-14]))
('penalty', 10000)
('old_driving_force', -38405.572492358231, 4.4317677638794351e-08)
('sublsum', -6.8773871749928936)
(1.0, -38410.391270871558, 4.6014254773130148e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37412832e-01 3.62587166e-01 1.47576884e-09], NP=0.5326002952436758), CompositionSet(HCP_A3, [ 1.10012139e-03 9.98899878e-01 4.58422864e-10], NP=0.4673997047563243)])
('step', array([ 1.44790576e-04, -1.44790301e-04, -2.74269090e-10,
2.02856870e-07, -2.02854136e-07, -2.73457393e-12,
7.92270720e-04, -7.92270932e-04, 2.11798482e-10,
0.00000000e+00, -6.61431834e-04, 6.61431834e-04]))
('conv_angle', 59.470132069304988)
('Site fractions', array([ 9.56118721e-01, 4.38812765e-02, 2.20061320e-09,
1.05465463e-06, 9.99998945e-01, 2.60801282e-11,
1.10012139e-03, 9.98899878e-01, 4.58422864e-10,
1.00000000e+00]))
('Phase fractions', array([ 0.5326003, 0.4673997]))
('Chemical potentials', array([ -41601.2073985 , -36769.75964474, -171478.12064569]))
('Chem pot progress', array([ 7.31983475, -12.86284107, -821.26951961]))
('Energy progress', -4.829104071628535)
('Driving force', 2.0515371729197796)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37412832e-01 3.62587166e-01 1.47576884e-09], NP=0.5326002952436758), CompositionSet(HCP_A3, [ 1.10012139e-03 9.98899878e-01 4.58422864e-10], NP=0.4673997047563243)])
('reduced_hessian eigenvalues', array([ 1.88768283e+04, 1.08374998e+06, 5.86278856e+08,
2.28855734e+12, 3.04926500e+13]))
('NEW_L_MULTIPLIERS', array([ -3697.97341559, -12915.38449556, 3435.45745794,
-15474.34495497, -41595.98621318, -36778.94079853,
-171884.43841528]))
('L_CONSTRAINTS', array([ -3.78554881e-17, -9.89505626e-18, 8.35770563e-18,
0.00000000e+00, 4.60142286e-07, -4.60142548e-07,
2.61633286e-13]))
('penalty', 10000)
('old_driving_force', -38410.39127749858, 4.6014254773130148e-07)
('sublsum', -6.3309812286945855)
(1.0, -38414.402335528495, 1.5315901850110336e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37481324e-01 3.62518675e-01 1.40166038e-09], NP=0.5314840620565398), CompositionSet(HCP_A3, [ 2.54071855e-03 9.97459281e-01 5.44739036e-10], NP=0.4685159379434603)])
('step', array([ 1.02722972e-04, -1.02722861e-04, -1.10500502e-10,
2.82187839e-08, -2.82174594e-08, -1.32439664e-12,
1.44059717e-03, -1.44059725e-03, 8.63161722e-11,
0.00000000e+00, -1.11623319e-03, 1.11623319e-03]))
('conv_angle', 56.746199006201209)
('Site fractions', array([ 9.56221444e-01, 4.37785537e-02, 2.09011270e-09,
1.08287342e-06, 9.99998917e-01, 2.47557315e-11,
2.54071855e-03, 9.97459281e-01, 5.44739036e-10,
1.00000000e+00]))
('Phase fractions', array([ 0.53148406, 0.46851594]))
('Chemical potentials', array([ -41595.98621318, -36778.94079853, -171884.43841528]))
('Chem pot progress', array([ 5.22118532, -9.18115379, -406.31776959]))
('Energy progress', -4.0376481838320615)
('Driving force', 2.3034024664011667)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37481324e-01 3.62518675e-01 1.40166038e-09], NP=0.5314840620565398), CompositionSet(HCP_A3, [ 2.54071855e-03 9.97459281e-01 5.44739036e-10], NP=0.4685159379434603)])
('reduced_hessian eigenvalues', array([ 1.88533324e+04, 4.66660197e+05, 5.69853137e+08,
2.02896062e+12, 3.20129446e+13]))
('NEW_L_MULTIPLIERS', array([ -3691.57834218, -12893.77851393, 3451.08424023,
-15483.81428275, -41596.43766851, -36778.1482839 ,
-171923.40943566]))
('L_CONSTRAINTS', array([ -1.46278131e-17, -2.14885636e-17, -1.06928435e-16,
0.00000000e+00, 1.53159001e-06, -1.53159019e-06,
1.79071232e-13]))
('penalty', 10000)
('old_driving_force', -38414.402333623235, 1.5315901850110336e-06)
('sublsum', -1.9294583134609387)
(1.0, -38415.501418112748, 1.0852746390455081e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37475315e-01 3.62524684e-01 1.39608378e-09], NP=0.5305926996847049), CompositionSet(HCP_A3, [ 3.75225538e-03 9.96247744e-01 5.52313221e-10], NP=0.4694073003152951)])
('step', array([ -9.01377427e-06, 9.01378258e-06, -8.31437082e-12,
2.50808697e-10, -2.50707638e-10, -1.01037602e-13,
1.21153683e-03, -1.21153684e-03, 7.57418506e-12,
0.00000000e+00, -8.91362372e-04, 8.91362372e-04]))
('conv_angle', 55.778620895362643)
('Site fractions', array([ 9.56212430e-01, 4.37875674e-02, 2.08179833e-09,
1.08312422e-06, 9.99998917e-01, 2.46546939e-11,
3.75225538e-03, 9.96247744e-01, 5.52313221e-10,
1.00000000e+00]))
('Phase fractions', array([ 0.5305927, 0.4694073]))
('Chemical potentials', array([ -41596.43766851, -36778.1482839 , -171923.40943566]))
('Chem pot progress', array([ -0.45145533, 0.79251463, -38.97102038]))
('Energy progress', -1.0880076793328044)
('Driving force', 0.84368139019352384)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37475315e-01 3.62524684e-01 1.39608378e-09], NP=0.5305926996847049), CompositionSet(HCP_A3, [ 3.75225538e-03 9.96247744e-01 5.52313221e-10], NP=0.4694073003152951)])
('reduced_hessian eigenvalues', array([ 1.87875909e+04, 3.15008748e+05, 5.68805389e+08,
2.00708045e+12, 3.20984365e+13]))
('NEW_L_MULTIPLIERS', array([ -3689.56364618, -12888.1757745 , 3454.64099604,
-15486.13931059, -41597.34844709, -36776.54675385,
-171924.73949233]))
('L_CONSTRAINTS', array([ -1.54227672e-17, -2.87950665e-17, 1.36653416e-16,
0.00000000e+00, 1.08527463e-06, -1.08527464e-06,
1.17219733e-14]))
('penalty', 10000)
('old_driving_force', -38415.501415386207, 1.0852746390455081e-06)
('sublsum', -0.095919144796584782)
(1.0, -38415.570827009557, 8.006903928770015e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37463365e-01 3.62536633e-01 1.39605032e-09], NP=0.5303575877949972), CompositionSet(HCP_A3, [ 4.08086308e-03 9.95919136e-01 5.52748693e-10], NP=0.4696424122050028)])
('step', array([ -1.79240164e-05, 1.79240164e-05, -4.72085742e-14,
-3.74115194e-10, 3.74121196e-10, -5.97332993e-15,
3.28607698e-04, -3.28607698e-04, 4.35472446e-13,
0.00000000e+00, -2.35111890e-04, 2.35111890e-04]))
('conv_angle', 55.559659073306428)
('Site fractions', array([ 9.56194506e-01, 4.38054915e-02, 2.08175112e-09,
1.08275011e-06, 9.99998917e-01, 2.46487206e-11,
4.08086308e-03, 9.95919136e-01, 5.52748693e-10,
1.00000000e+00]))
('Phase fractions', array([ 0.53035759, 0.46964241]))
('Chemical potentials', array([ -41597.34844709, -36776.54675385, -171924.73949233]))
('Chem pot progress', array([-0.91077859, 1.60153005, -1.33005667]))
('Energy progress', -0.04446161297528306)
('Driving force', 0.047031491871166509)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37463365e-01 3.62536633e-01 1.39605032e-09], NP=0.5303575877949972), CompositionSet(HCP_A3, [ 4.08086308e-03 9.95919136e-01 5.52748693e-10], NP=0.4696424122050028)])
('reduced_hessian eigenvalues', array([ 1.87671512e+04, 2.89451601e+05, 5.68759777e+08,
2.00501203e+12, 3.20949941e+13]))
('NEW_L_MULTIPLIERS', array([ -3689.46689581, -12887.92705938, 3454.78849894,
-15486.24151564, -41597.4055791 , -36776.44633732,
-171924.79698549]))
('L_CONSTRAINTS', array([ 1.59927302e-17, -6.92066570e-18, -4.24158684e-17,
0.00000000e+00, 8.00690391e-08, -8.00690393e-08,
1.10194085e-16]))
('penalty', 10000)
('old_driving_force', -38415.57082699694, 8.006903928770015e-08)
('sublsum', -0.00018043422431830177)
(1.0, -38415.572515419488, 1.6427409432751006e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37462614e-01 3.62537385e-01 1.39605229e-09], NP=0.5303470682504438), CompositionSet(HCP_A3, [ 4.09572802e-03 9.95904271e-01 5.52765122e-10], NP=0.4696529317495563)])
('step', array([ -1.12671077e-06, 1.12671077e-06, 3.10674511e-15,
-2.34574530e-11, 2.34577617e-11, -3.01721529e-16,
1.48649344e-05, -1.48649344e-05, 1.64291676e-14,
0.00000000e+00, -1.05195446e-05, 1.05195446e-05]))
('conv_angle', 55.477617665136847)
('Site fractions', array([ 9.56193380e-01, 4.38066182e-02, 2.08175423e-09,
1.08272665e-06, 9.99998917e-01, 2.46484189e-11,
4.09572802e-03, 9.95904271e-01, 5.52765122e-10,
1.00000000e+00]))
('Phase fractions', array([ 0.53034707, 0.46965293]))
('Chemical potentials', array([ -41597.4055791 , -36776.44633732, -171924.79698549]))
('Chem pot progress', array([-0.057132 , 0.10041653, -0.05749316]))
('Energy progress', 0.0002948903857031837)
('Driving force', 9.1148991486988962e-05)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37462614e-01 3.62537385e-01 1.39605229e-09], NP=0.5303470682504438), CompositionSet(HCP_A3, [ 4.09572802e-03 9.95904271e-01 5.52765122e-10], NP=0.4696529317495563)])
('reduced_hessian eigenvalues', array([ 1.87624866e+04, 2.88392060e+05, 5.68761252e+08,
2.00492634e+12, 3.20948857e+13]))
('NEW_L_MULTIPLIERS', array([ -3689.46671451, -12887.92660758, 3454.78877276,
-15486.24166523, -41597.40569029, -36776.44614194,
-171924.79711392]))
('L_CONSTRAINTS', array([ -2.75199884e-17, 2.44247128e-17, -4.45490018e-17,
0.00000000e+00, 1.64274094e-10, -1.64274039e-10,
1.48185684e-19]))
('penalty', 10000)
('old_driving_force', -38415.572515419488, 1.6427409432751006e-10)
('sublsum', -6.0526802387962978e-10)
(1.0, -38415.572518705259, 5.5511151231257827e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37462613e-01 3.62537386e-01 1.39605229e-09], NP=0.5303470490529483), CompositionSet(HCP_A3, [ 4.09575529e-03 9.95904244e-01 5.52765157e-10], NP=0.4696529509470517)])
('step', array([ -2.30403577e-09, 2.30403580e-09, 4.89010678e-19,
-4.29878902e-14, 4.29643339e-14, -8.68421674e-19,
2.72742196e-08, -2.72742195e-08, 3.41133703e-17,
0.00000000e+00, -1.91974955e-08, 1.91974954e-08]))
('conv_angle', 55.422180167912749)
('Site fractions', array([ 9.56193377e-01, 4.38066205e-02, 2.08175423e-09,
1.08272661e-06, 9.99998917e-01, 2.46484180e-11,
4.09575529e-03, 9.95904244e-01, 5.52765157e-10,
1.00000000e+00]))
('Phase fractions', array([ 0.53034705, 0.46965295]))
('Chemical potentials', array([ -41597.40569029, -36776.44614194, -171924.79711392]))
('Chem pot progress', array([-0.00011119, 0.00019538, -0.00012843]))
('Energy progress', 7.916532922536135e-07)
('Driving force', 3.0559021979570389e-10)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.4055477494244428), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.22483202683996137), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.36962022373559594)])
('reduced_hessian eigenvalues', array([ -9.60260802e+01, 6.01654352e+03, 7.03939272e+03,
2.09018677e+14, 3.21597992e+14, 5.23660768e+14,
7.31661889e+14, 1.05517577e+15]))
('reduced_hessian modified eigenvalues', array([ 9.61496533e+01, 6.01691818e+03, 7.03957279e+03,
2.09018677e+14, 3.21597992e+14, 5.23660768e+14,
7.31661889e+14, 1.05517577e+15]))
('NEW_L_MULTIPLIERS', array([ -401.297327 , -1315.53326853, -8911.88779274, 40985.45214888,
18201.47627319, -58704.52178422, -41446.32919787, -37032.05187244,
-64735.19419534]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.99922887e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
5.55111512e-17, 0.00000000e+00, 6.93889390e-18]))
('penalty', 10000)
('old_driving_force', -38693.916392729981, 1.9992288680364425e-16)
('sublsum', -809.52523234710725)
(1.0, -31298.014498298424, 0.36000160485807475)
(0.5, -32598.681402036251, 0.43113185850696523)
(0.25, -35964.164475527243, 0.22884707199346366)
(0.125, -38503.133297292312, 0.022080328723352194)
(0.0625, -38680.324596798499, 0.005520082178548158)
(0.03125, -38704.020102306546, 0.0013800205436607094)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 5.93114855e-01 4.06885145e-01 1.04032081e-12], NP=0.39447422396841775), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.1791623038500429), CompositionSet(BCC_A2, [ 0.15384565 0.75454873 0.09160563], NP=0.42636347218153947)])
('step', array([ 2.50686172e-02, -2.50686172e-02, 1.59196993e-12,
2.57966463e-12, -3.26635038e-12, 6.86857919e-13,
-1.75597590e-10, 3.60926065e-10, -1.85328470e-10,
0.00000000e+00, -2.43358546e-01, 7.74992503e-01,
-5.31633957e-01, 0.00000000e+00, -3.54352815e-01,
-1.46143114e+00, 1.81578395e+00]))
('conv_angle', 89.818581847968971)
('Site fractions', array([ 8.89672283e-01, 1.10327717e-01, 1.04974906e-12,
1.08061452e-12, 1.00000000e+00, 1.02146431e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.53845648e-01, 7.54548727e-01,
9.16056255e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.39447422, 0.1791623 , 0.42636347]))
('Chemical potentials', array([-41446.32919787, -37032.05187244, -64735.19419534]))
('Chem pot progress', array([ -58.91860934, -284.99513462, -14119.29996508]))
('Energy progress', -9.657741090071795)
('Driving force', 732.84024977176159)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.93114855e-01 4.06885145e-01 1.04032081e-12], NP=0.39447422396841775), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.1791623038500429), CompositionSet(BCC_A2, [ 0.15384565 0.75454873 0.09160563], NP=0.42636347218153947)])
('reduced_hessian eigenvalues', array([ -3.16207638e+03, 5.92435231e+03, 7.30327063e+03,
2.04957661e+14, 2.78499416e+14, 5.34115120e+14,
7.05487580e+14, 8.85923581e+14]))
('reduced_hessian modified eigenvalues', array([ 3.16211616e+03, 5.92398047e+03, 7.30319240e+03,
2.04957661e+14, 2.78499416e+14, 5.34115120e+14,
7.05487580e+14, 8.85923581e+14]))
('NEW_L_MULTIPLIERS', array([ -2537.93158124, -9192.16852581, 1241.20306403, -5525.35447706,
3944.29844606, -12441.25091032, -42032.24021224, -36917.81903322,
-47831.46105828]))
('L_CONSTRAINTS', array([ -1.74976323e-16, -1.62917293e-16, 1.99997788e-12,
0.00000000e+00, -4.16333634e-17, 0.00000000e+00,
-4.37313116e-04, 1.38002054e-03, -9.42707428e-04]))
('penalty', 10000)
('old_driving_force', -38688.498697779884, 0.0013800205436607094)
('sublsum', -182.61777569308799)
(1.0, -38658.823100667876, 0.0038054578528461391)
(0.5, -38748.050202963292, 0.0016413747350418895)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 6.28920483e-01 3.71079517e-01 1.68549067e-11], NP=0.38091932350880575), CompositionSet(HCP_A3, [ 1.58569669e-11 1.00000000e+00 1.68793200e-11], NP=0.17320623987785488), CompositionSet(BCC_A2, [ 0.13304695 0.7784339 0.08851915], NP=0.4458744366133513)])
('step', array([ 1.07416882e-01, -1.07416882e-01, 3.38660361e-11,
1.89138405e-11, -4.60691731e-11, 2.71554434e-11,
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0.00000000e+00, -4.15973938e-02, 4.77703447e-02,
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('conv_angle', 89.097338555118782)
('Site fractions', array([ 9.43380724e-01, 5.66192758e-02, 1.79827671e-11,
1.05375348e-11, 1.00000000e+00, 1.45991860e-11,
1.58569669e-11, 1.00000000e+00, 1.68793200e-11,
1.00000000e+00, 1.33046951e-01, 7.78433899e-01,
8.85191501e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.38091932, 0.17320624, 0.44587444]))
('Chemical potentials', array([-42032.24021224, -36917.81903322, -47831.46105828]))
('Chem pot progress', array([ -585.91101437, 114.23283922, 16903.73313705]))
('Energy progress', -65.82616813140339)
('Driving force', 107.81337025958783)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.28920483e-01 3.71079517e-01 1.68549067e-11], NP=0.38091932350880575), CompositionSet(HCP_A3, [ 1.58569669e-11 1.00000000e+00 1.68793200e-11], NP=0.17320623987785488), CompositionSet(BCC_A2, [ 0.13304695 0.7784339 0.08851915], NP=0.4458744366133513)])
('reduced_hessian eigenvalues', array([ 9.12636992e+02, 8.57555646e+03, 1.28960454e+04,
2.19121862e+13, 2.48795444e+13, 4.96659637e+13,
7.33386375e+13, 7.66560975e+13]))
('NEW_L_MULTIPLIERS', array([ -2508.45717205, -8765.81363352, 349.99772222, -1702.46187353,
4843.71032448, -15732.93584512, -41621.88993407, -36747.05674531,
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('L_CONSTRAINTS', array([ -2.17785561e-17, -2.47357259e-17, 1.00002212e-12,
0.00000000e+00, 2.77555756e-17, 0.00000000e+00,
-1.10980091e-03, 1.64137474e-03, -5.31573827e-04]))
('penalty', 10000)
('old_driving_force', -38749.579765044771, 0.0016413747350418895)
('sublsum', -40.569149417748051)
(1.0, -38672.923454432072, 0.00673909140446316)
(0.5, -38749.749910089675, 0.0025054602186367347)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 6.33507032e-01 3.66492967e-01 1.77216050e-10], NP=0.37050534038826877), CompositionSet(HCP_A3, [ 6.12101085e-11 1.00000000e+00 6.41562642e-11], NP=0.1121488494669267), CompositionSet(BCC_A2, [ 0.12373562 0.80133829 0.07492609], NP=0.5173458101448716)])
('step', array([ 1.37596488e-02, -1.37596492e-02, 3.63042980e-10,
1.14553932e-10, -3.50634812e-10, 2.36080896e-10,
9.07062831e-11, -1.86260209e-10, 9.45538885e-11,
0.00000000e+00, -1.86226687e-02, 4.58087906e-02,
-2.71861219e-02, 0.00000000e+00, -2.08279662e-02,
-1.22114781e-01, 1.42942747e-01]))
('conv_angle', 89.790697452839453)
('Site fractions', array([ 9.50260549e-01, 4.97394512e-02, 1.99504257e-10,
6.78145008e-11, 1.00000000e+00, 1.32639634e-10,
6.12101085e-11, 1.00000000e+00, 6.41562642e-11,
1.00000000e+00, 1.23735616e-01, 8.01338294e-01,
7.49260891e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.37050534, 0.11214885, 0.51734581]))
('Chemical potentials', array([-41621.88993407, -36747.05674531, -51038.32377677]))
('Chem pot progress', array([ 410.35027817, 170.76228791, -3206.86271848]))
('Energy progress', -6.594142716938222)
('Driving force', -18.701731270863093)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.33507032e-01 3.66492967e-01 1.77216050e-10], NP=0.37050534038826877), CompositionSet(HCP_A3, [ 6.12101085e-11 1.00000000e+00 6.41562642e-11], NP=0.1121488494669267), CompositionSet(BCC_A2, [ 0.12373562 0.80133829 0.07492609], NP=0.5173458101448716)])
('reduced_hessian eigenvalues', array([ 3.43262669e+02, 9.18280649e+03, 1.49306790e+04,
2.71319466e+12, 4.18853538e+12, 4.97860955e+12,
1.01696906e+13, 1.26991829e+13]))
('NEW_L_MULTIPLIERS', array([ -2275.28636136, -7964.64316358, -660.80885808, 3014.99537977,
6246.11229374, -20439.62171647, -41615.94327116, -36747.05659892,
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('L_CONSTRAINTS', array([ -5.85330097e-17, -4.28012446e-17, 5.00072806e-13,
0.00000000e+00, 9.71445147e-17, 0.00000000e+00,
-1.26815856e-03, 2.50546022e-03, -1.23730165e-03]))
('penalty', 10000)
('old_driving_force', -38751.123407240157, 0.0025054602186367347)
('sublsum', -31.691506731589367)
(1.0, -37697.599417538906, 0.10094972391433721)
(0.5, -38738.556986956377, 0.0037305164600741625)
(0.25, -38758.498869637006, 0.0024985417326210957)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 6.34392179e-01 3.65607820e-01 8.75338904e-10], NP=0.35978011326987175), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.061351992521210076), CompositionSet(BCC_A2, [ 0.12213344 0.81125267 0.06661389], NP=0.5788678942089939)])
('step', array([ 5.31087904e-03, -5.31088236e-03, 3.32128742e-09,
5.79892992e-10, -2.31479237e-09, 1.73489942e-09,
-8.93693318e-10, 1.88155234e-09, -9.88359085e-10,
0.00000000e+00, -6.40869635e-03, 3.96575128e-02,
-3.32488164e-02, 0.00000000e+00, -4.29009085e-02,
-2.03187428e-01, 2.46088336e-01]))
('conv_angle', 89.87312328284834)
('Site fractions', array([ 9.51588268e-01, 4.84117306e-02, 1.02982611e-09,
2.12787749e-10, 9.99999999e-01, 5.66364490e-10,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.22133442e-01, 8.11252673e-01,
6.66138850e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.35978011, 0.06135199, 0.57886789]))
('Chemical potentials', array([-41615.94327116, -36747.05659892, -52154.49305558]))
('Chem pot progress', array([ 5.94666291e+00, 1.46392682e-04, -1.11616928e+03]))
('Energy progress', -5.141372461141145)
('Driving force', 15.550354546357994)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.34392179e-01 3.65607820e-01 8.75338904e-10], NP=0.35978011326987175), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.061351992521210076), CompositionSet(BCC_A2, [ 0.12213344 0.81125267 0.06661389], NP=0.5788678942089939)])
('reduced_hessian eigenvalues', array([ 2.36422858e+02, 9.30774784e+03, 1.52937256e+04,
6.56614070e+11, 9.73199238e+11, 2.99819009e+12,
1.02304404e+14, 3.06272718e+14]))
('NEW_L_MULTIPLIERS', array([ -2224.74540716, -7787.8263303 , -904.05293325, 4124.8257528 ,
6579.437227 , -21528.82692686, -41615.20466202, -36747.05526129,
-52330.06224587]))
('L_CONSTRAINTS', array([ -7.10013347e-17, -2.11172012e-17, 1.99997788e-12,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-1.05918139e-03, 2.49854173e-03, -1.43936034e-03]))
('penalty', 10000)
('old_driving_force', -38758.750797987734, 0.0024985417326210957)
('sublsum', -16.146801281886987)
(1.0, -37435.943549806871, 0.13087952865382746)
(0.5, -38441.272162117319, 0.03443070658013192)
(0.25, -38766.787902604643, 0.002269489385725576)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 6.35061149e-01 3.64938847e-01 4.06151276e-09], NP=0.3499278772160275), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.014876444578701006), CompositionSet(BCC_A2, [ 0.12108793 0.81815854 0.06075353], NP=0.6351956782054211)])
('step', array([ 4.01381812e-03, -4.01383387e-03, 1.57542651e-08,
1.61590985e-09, -8.34146601e-09, 6.72555618e-09,
-6.47373772e-11, 1.29541488e-10, -6.68040642e-11,
0.00000000e+00, -4.18203435e-03, 2.76234697e-02,
-2.34414353e-02, 0.00000000e+00, -3.94089442e-02,
-1.85902192e-01, 2.25311136e-01]))
('conv_angle', 89.915981566532864)
('Site fractions', array([ 9.52591723e-01, 4.74082722e-02, 4.96839238e-09,
6.16765212e-10, 9.99999997e-01, 2.24775353e-09,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.21087934e-01, 8.18158540e-01,
6.07535262e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.34992788, 0.01487644, 0.63519568]))
('Chemical potentials', array([-41615.20466202, -36747.05526129, -52330.06224587]))
('Chem pot progress', array([ 7.38609144e-01, 1.33762263e-03, -1.75569190e+02]))
('Energy progress', -4.8897681867165375)
('Driving force', 18.642670553221251)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.35061149e-01 3.64938847e-01 4.06151276e-09], NP=0.3499278772160275), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.014876444578701006), CompositionSet(BCC_A2, [ 0.12108793 0.81815854 0.06075353], NP=0.6351956782054211)])
('reduced_hessian eigenvalues', array([ 2.49181487e+02, 9.34799165e+03, 1.54912341e+04,
1.67008773e+11, 2.03308315e+11, 9.73434406e+11,
2.49414620e+13, 7.48168222e+13]))
('NEW_L_MULTIPLIERS', array([ -2283.71672237, -7994.11608467, -627.60894718, 2863.51985592,
6196.96775208, -20272.67312653, -41614.83657594, -36747.05649065,
-52036.60337746]))
('L_CONSTRAINTS', array([ -2.35945949e-17, -1.15754499e-16, 1.99997788e-12,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-8.59868071e-04, 2.26948939e-03, -1.40962131e-03]))
('penalty', 10000)
('old_driving_force', -38766.373917433739, 0.002269489385725576)
('sublsum', -4.1335505667785553)
(1.0, -37918.716095521042, 0.087928986431069944)
(0.5, -38425.169307763943, 0.03729495222016288)
(0.25, -38672.172968843632, 0.012252482664247721)
(0.125, -38772.067589613442, 0.0020086821742755223)
('alpha', 0.125)
('Phases', [CompositionSet(LAVES_C15, [ 6.35328019e-01 3.64671970e-01 1.12088559e-08], NP=0.3472968538622811), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.002208797401600947), CompositionSet(BCC_A2, [ 0.1208242 0.81960813 0.05956767], NP=0.6504943487362742)])
('step', array([ 3.20243711e-03, -3.20251019e-03, 7.30885132e-08,
4.32664999e-09, -2.96858583e-08, 2.53592085e-08,
-1.85345517e-10, 3.74245761e-10, -1.90900204e-10,
0.00000000e+00, -2.10990621e-03, 1.15967215e-02,
-9.48681525e-03, 0.00000000e+00, -2.10481868e-02,
-1.01341177e-01, 1.22389364e-01]))
('conv_angle', 89.951020713372401)
('Site fractions', array([ 9.52992027e-01, 4.70079584e-02, 1.41044565e-08,
1.15759646e-09, 9.99999993e-01, 5.41765459e-09,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.20824196e-01, 8.19608130e-01,
5.95676743e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.34729685, 0.0022088 , 0.65049435]))
('Chemical potentials', array([-41614.83657594, -36747.05649065, -52036.60337746]))
('Chem pot progress', array([ 3.68086072e-01, -1.22936197e-03, 2.93458868e+02]))
('Energy progress', -3.394351734095835)
('Driving force', 6.7311585948118591)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.35328019e-01 3.64671970e-01 1.12088559e-08], NP=0.3472968538622811), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.002208797401600947), CompositionSet(BCC_A2, [ 0.1208242 0.81960813 0.05956767], NP=0.6504943487362742)])
('reduced_hessian eigenvalues', array([ 2.84478824e+02, 9.35773376e+03, 1.55763554e+04,
6.75859237e+10, 7.44033965e+10, 5.04970351e+11,
3.70431276e+12, 1.11129149e+13]))
('NEW_L_MULTIPLIERS', array([ -2306.10738067, -8072.42112747, -521.66391753, 2380.13514966,
6050.81440367, -19793.75099012, -41614.70943753, -36747.0563909 ,
-51945.59632829]))
('L_CONSTRAINTS', array([ -5.50906689e-17, -6.64978386e-17, 1.99997788e-12,
0.00000000e+00, 2.08166817e-17, 0.00000000e+00,
-7.57121547e-04, 2.00868217e-03, -1.25156063e-03]))
('penalty', 10000)
('old_driving_force', -38771.953592715312, 0.0020086821742755223)
('sublsum', -2.4087036736336316)
(1.0, -38079.748245332463, 0.072597984301685292)
(0.5, -38440.953316413012, 0.036016640076353856)
(0.25, -38618.499338569847, 0.017862688809682781)
(0.125, -38706.519399831683, 0.0088198933878456121)
(0.0625, -38750.342533278657, 0.0043070407298020363)
(0.03125, -38772.20753928685, 0.0020527506639986814)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 6.35387293e-01 3.64612691e-01 1.59177017e-08], NP=0.3468222421198665), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12077433 0.81985332 0.05937235], NP=0.6532838855993646)])
('step', array([ 2.84515018e-03, -2.84534736e-03, 1.97180559e-07,
7.56557078e-09, -6.52536543e-08, 5.76880836e-08,
-1.03759522e-09, 2.10648989e-09, -1.07089466e-09,
0.00000000e+00, -1.59558890e-03, 7.84592864e-03,
-6.25033974e-03, 0.00000000e+00, -1.51875758e-02,
-7.40776039e-02, 8.92651796e-02]))
('conv_angle', 89.957226639870314)
('Site fractions', array([ 9.53080938e-01, 4.69190413e-02, 2.02663490e-08,
1.39402055e-09, 9.99999991e-01, 7.22040720e-09,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.20774333e-01, 8.19853315e-01,
5.93723512e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.46822242e-01, 1.00000000e-12, 6.53283886e-01]))
('Chemical potentials', array([-41614.70943753, -36747.0563909 , -51945.59632829]))
('Chem pot progress', array([ 1.27138416e-01, 9.97579991e-05, 9.10070492e+01]))
('Energy progress', -4.674428463215008)
('Driving force', 3.0926269959454658)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.35387293e-01 3.64612691e-01 1.59177017e-08], NP=0.3468222421198665), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12077433 0.81985332 0.05937235], NP=0.6532838855993646)])
('reduced_hessian eigenvalues', array([ -9.36639344e+04, 5.02864207e+03, 7.23757642e+03,
1.55505268e+04, 9.78077361e+04, 4.81394284e+10,
5.48328098e+10, 4.16109559e+11]))
('reduced_hessian modified eigenvalues', array([ 5.02864208e+03, 7.23757643e+03, 1.55505268e+04,
9.36639344e+04, 9.78077361e+04, 4.81394284e+10,
5.48328098e+10, 4.16109559e+11]))
('NEW_L_MULTIPLIERS', array([ -2.41854163e+03, -8.42366216e+03, 1.11321614e+02,
3.68660591e+01, 5.35815938e+03, -1.75489429e+04,
-4.16109083e+04, -3.66949603e+04, -5.11813999e+04]))
('L_CONSTRAINTS', array([ -9.71644894e-17, -6.86221972e-17, 1.99997788e-12,
0.00000000e+00, -4.16333634e-17, 0.00000000e+00,
-7.33628723e-04, 2.05275066e-03, -1.21299422e-03]))
('penalty', 10000)
('old_driving_force', -38771.384724966163, 0.0020527506639986814)
('sublsum', -0.44808752680777419)
(1.0, -38800.450033858593, 0.0011113914498778188)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37625919e-01 3.62373845e-01 2.35770492e-07], NP=0.3461886816707225), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12102175 0.81789835 0.0610799 ], NP=0.6549244986731759)])
('step', array([ 3.35793515e-03, -3.35822550e-03, 2.90350296e-07,
9.24208592e-09, -8.80998649e-08, 7.88577791e-08,
-4.53230863e-04, 9.60804189e-04, -5.07573328e-04,
0.00000000e+00, 2.47420101e-04, -1.95496402e-03,
1.70754392e-03, 0.00000000e+00, -6.33560449e-04,
-1.11318034e-03, 1.64061307e-03]))
('conv_angle', 89.835696483428805)
('Site fractions', array([ 9.56438874e-01, 4.35608158e-02, 3.10616645e-07,
1.06361065e-08, 9.99999903e-01, 8.60781863e-08,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.21021753e-01, 8.17898351e-01,
6.10798951e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.46188682e-01, 1.00000000e-12, 6.54924499e-01]))
('Chemical potentials', array([-41610.90825953, -36694.96032179, -51181.39985191]))
('Chem pot progress', array([ 3.801178 , 52.0960691 , 764.19647639]))
('Energy progress', -58.39143182965927)
('Driving force', -62.399800700419291)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37625919e-01 3.62373845e-01 2.35770492e-07], NP=0.3461886816707225), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12102175 0.81789835 0.0610799 ], NP=0.6549244986731759)])
('reduced_hessian eigenvalues', array([ -9.37984905e+04, 5.02784613e+03, 7.36380834e+03,
1.67140761e+04, 9.79730538e+04, 3.18411243e+09,
4.62069742e+09, 5.33288147e+10]))
('reduced_hessian modified eigenvalues', array([ 5.02784613e+03, 7.36380834e+03, 1.67140761e+04,
9.37984905e+04, 9.79730538e+04, 3.18411243e+09,
4.62069742e+09, 5.33288147e+10]))
('NEW_L_MULTIPLIERS', array([ -2.41634586e+03, -8.41869301e+03, 8.24435720e+01,
2.72013096e+01, 5.36397707e+03, -1.75275945e+04,
-4.16032795e+04, -3.67228549e+04, -5.11941413e+04]))
('L_CONSTRAINTS', array([ 9.19576025e-18, -8.95473041e-17, 1.99997788e-12,
0.00000000e+00, -4.16333634e-17, 0.00000000e+00,
-1.01238457e-06, 1.11139145e-03, 2.80127959e-06]))
('penalty', 10000)
('old_driving_force', -38800.418988630394, 0.0011113914498778188)
('sublsum', -0.035306500233791983)
(1.0, -38803.406482727041, 0.00082073749230215931)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37562688e-01 3.62434427e-01 2.88507957e-06], NP=0.3461409942714834), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12114838 0.81775457 0.06109705], NP=0.6546797109125166)])
('step', array([ -9.48719818e-05, 9.12623319e-05, 3.60964990e-06,
4.90770316e-08, -7.77704478e-07, 7.28627447e-07,
-2.88505544e-04, 6.21270694e-04, -3.32765152e-04,
0.00000000e+00, 1.26631123e-04, -1.43782995e-04,
1.71518726e-05, 0.00000000e+00, -4.76873992e-05,
-8.20705185e-04, -2.44787761e-04]))
('conv_angle', 89.918015734481642)
('Site fractions', array([ 9.56344002e-01, 4.36520781e-02, 3.92026654e-06,
5.97131381e-08, 9.99999126e-01, 8.14705633e-07,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.21148385e-01, 8.17754568e-01,
6.10970469e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.46140994e-01, 1.00000000e-12, 6.54679711e-01]))
('Chemical potentials', array([-41603.27954842, -36722.85491523, -51194.14128322]))
('Chem pot progress', array([ 7.62871111, -27.89459344, -12.74143132]))
('Energy progress', 10.733178316302656)
('Driving force', -45.780420836890698)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37562688e-01 3.62434427e-01 2.88507957e-06], NP=0.3461409942714834), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12114838 0.81775457 0.06109705], NP=0.6546797109125166)])
('reduced_hessian eigenvalues', array([ -9.37994190e+04, 5.02787016e+03, 7.34562655e+03,
1.66694958e+04, 9.79806181e+04, 2.52954944e+08,
4.93615584e+08, 9.36595088e+09]))
('reduced_hessian modified eigenvalues', array([ 5.02787016e+03, 7.34562655e+03, 1.66694958e+04,
9.37994190e+04, 9.79806181e+04, 2.52954944e+08,
4.93615584e+08, 9.36595088e+09]))
('NEW_L_MULTIPLIERS', array([ -2.41530175e+03, -8.41867239e+03, 6.84648625e+01,
2.25537188e+01, 5.36560896e+03, -1.75153058e+04,
-4.16028866e+04, -3.67354514e+04, -5.11970077e+04]))
('L_CONSTRAINTS', array([ -2.70017163e-17, 6.99304049e-17, 1.99997788e-12,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-2.79823960e-08, 8.20737492e-04, -4.32490599e-09]))
('penalty', 10000)
('old_driving_force', -38803.396144280116, 0.00082073749230215931)
('sublsum', -0.55226818986063864)
(1.0, -38805.257360491516, 0.00068076603875788511)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37532972e-01 3.62438698e-01 2.83298246e-05], NP=0.34620708094657837), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1211379 0.81775927 0.06110283], NP=0.6544736857772083)])
('step', array([ -4.46596745e-05, 9.02673951e-06, 3.56329350e-05,
1.72708267e-07, -5.24107339e-06, 5.06836512e-06,
-2.14120116e-04, 4.63917598e-04, -2.49797484e-04,
0.00000000e+00, -1.04799865e-05, 4.69976723e-06,
5.78021924e-06, 0.00000000e+00, 6.60866751e-05,
-6.80766725e-04, -2.06025135e-04]))
('conv_angle', 87.873947511745044)
('Site fractions', array([ 9.56299342e-01, 4.36611049e-02, 3.95532015e-05,
2.32421405e-07, 9.99993885e-01, 5.88307075e-06,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.21137905e-01, 8.17759268e-01,
6.11028272e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.46207081e-01, 1.00000000e-12, 6.54473686e-01]))
('Chemical potentials', array([-41602.88657128, -36735.45144992, -51197.00773963]))
('Chem pot progress', array([ 0.39297714, -12.59653469, -2.8664564 ]))
('Energy progress', 4.679310253617587)
('Driving force', -37.920789840187354)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37532972e-01 3.62438698e-01 2.83298246e-05], NP=0.34620708094657837), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1211379 0.81775927 0.06110283], NP=0.6544736857772083)])
('reduced_hessian eigenvalues', array([ -9.38006448e+04, 5.02787427e+03, 7.32842991e+03,
1.66658700e+04, 9.79845551e+04, 2.51131994e+07,
6.89017098e+07, 2.38536487e+09]))
('reduced_hessian modified eigenvalues', array([ 5.02787427e+03, 7.32842991e+03, 1.66658700e+04,
9.38006448e+04, 9.79845551e+04, 2.51131994e+07,
6.89017098e+07, 2.38536487e+09]))
('NEW_L_MULTIPLIERS', array([ -2.41507569e+03, -8.42985077e+03, 6.20807694e+01,
2.04393423e+01, 5.36137596e+03, -1.74975423e+04,
-4.16165603e+04, -3.67390598e+04, -5.11998291e+04]))
('L_CONSTRAINTS', array([ 2.32493603e-17, -8.99193236e-17, 1.99997788e-12,
0.00000000e+00, 6.93889390e-18, 0.00000000e+00,
1.95339855e-10, 6.80766039e-04, 4.90689073e-10]))
('penalty', 10000)
('old_driving_force', -38805.254904023241, 0.00068076603875788511)
('sublsum', -3.1265584386984973)
(1.0, -38808.393945539807, 0.00061691433726407396)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.37259710e-01 3.62524600e-01 2.15690169e-04], NP=0.346757164328909), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12086022 0.81807879 0.061061 ], NP=0.6538598988699096)])
('step', array([ -4.10071714e-04, 1.41539619e-04, 2.68532095e-04,
3.57219607e-07, -2.53740618e-05, 2.50168422e-05,
-1.86570642e-04, 4.05191002e-04, -2.18620363e-04,
0.00000000e+00, -2.77686284e-04, 3.19517510e-04,
-4.18312264e-05, 0.00000000e+00, 5.50083382e-04,
-6.17063200e-04, -6.13786907e-04]))
('conv_angle', 78.600735113120678)
('Site fractions', array([ 9.55889270e-01, 4.38026445e-02, 3.08085296e-04,
5.89641012e-07, 9.99968510e-01, 3.08999130e-05,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.20860218e-01, 8.18078786e-01,
6.10609959e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.46757164e-01, 1.00000000e-12, 6.53859899e-01]))
('Chemical potentials', array([-41616.56030723, -36739.05983234, -51199.82911447]))
('Chem pot progress', array([-13.67373595, -3.60838241, -2.82137485]))
('Energy progress', -0.1635504232472158)
('Driving force', -33.823831466441334)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.37259710e-01 3.62524600e-01 2.15690169e-04], NP=0.346757164328909), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12086022 0.81807879 0.061061 ], NP=0.6538598988699096)])
('reduced_hessian eigenvalues', array([ -9.38034869e+04, 5.02786168e+03, 7.26843796e+03,
1.66305329e+04, 9.79792788e+04, 3.24012621e+06,
1.31989407e+07, 9.36784011e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02786168e+03, 7.26843796e+03, 1.66305329e+04,
9.38034869e+04, 9.79792788e+04, 3.24012621e+06,
1.31989407e+07, 9.36784011e+08]))
('NEW_L_MULTIPLIERS', array([ -2.41798243e+03, -8.47920825e+03, 5.93752262e+01,
1.95740028e+01, 5.33905525e+03, -1.74401809e+04,
-4.16721426e+04, -3.67318758e+04, -5.12203026e+04]))
('L_CONSTRAINTS', array([ -4.34765071e-17, 1.13637940e-17, 1.99997788e-12,
0.00000000e+00, 2.77555756e-17, 0.00000000e+00,
2.01232829e-08, 6.16914337e-04, 1.28739272e-07]))
('penalty', 10000)
('old_driving_force', -38808.398373706899, 0.00061691433726407396)
('sublsum', -11.78912017874427)
(1.0, -38817.668365596881, 0.00058842334863806744)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63588652 0.36289247 0.00122101], NP=0.34910785805311373), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.11973674 0.81951443 0.06074884], NP=0.6514831127596431)])
('step', array([ -2.05996727e-03, 5.92360564e-04, 1.46760670e-03,
3.63140046e-07, -8.11112951e-05, 8.07481550e-05,
-2.01060752e-04, 4.33678968e-04, -2.32618218e-04,
0.00000000e+00, -1.12348227e-03, 1.43564230e-03,
-3.12160032e-04, 0.00000000e+00, 2.35069372e-03,
-5.90970814e-04, -2.37678611e-03]))
('conv_angle', 72.177886365003744)
('Site fractions', array([ 9.53829303e-01, 4.43950051e-02, 1.77569200e-03,
9.52781058e-07, 9.99887399e-01, 1.11648068e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.19736736e-01, 8.19514428e-01,
6.07488359e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.49107858e-01, 1.00000000e-12, 6.51483113e-01]))
('Chemical potentials', array([-41672.14262026, -36731.87581817, -51220.30261692]))
('Chem pot progress', array([-55.58231303, 7.18401417, -20.47350245]))
('Energy progress', -8.102068078209413)
('Driving force', -30.096296471754613)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63588652 0.36289247 0.00122101], NP=0.34910785805311373), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.11973674 0.81951443 0.06074884], NP=0.6514831127596431)])
('reduced_hessian eigenvalues', array([ -9.38075166e+04, 5.02781954e+03, 7.09142555e+03,
1.64652312e+04, 9.79481948e+04, 5.75451947e+05,
3.68514815e+06, 5.81948567e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02781954e+03, 7.09142555e+03, 1.64652312e+04,
9.38075166e+04, 9.79481948e+04, 5.75451947e+05,
3.68514815e+06, 5.81948567e+08]))
('NEW_L_MULTIPLIERS', array([ -2.43396627e+03, -8.61042169e+03, 5.35963552e+01,
1.77507418e+01, 5.27648741e+03, -1.72827944e+04,
-4.17965057e+04, -3.67106843e+04, -5.13355383e+04]))
('L_CONSTRAINTS', array([ 3.64291930e-17, 3.72694497e-17, 1.99997788e-12,
0.00000000e+00, -7.63278329e-17, 0.00000000e+00,
-5.57673150e-07, 5.88423349e-04, 3.10513827e-06]))
('penalty', 10000)
('old_driving_force', -38817.680546683536, 0.00058842334863806744)
('sublsum', -27.238383040802169)
(1.0, -38837.538135133218, 0.00051620847354727495)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63126719 0.36386385 0.00486896], NP=0.35555446312372685), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.11711562 0.82350094 0.05938344], NP=0.6449814023740266)])
('step', array([ -6.92907520e-03, 1.53291352e-03, 5.39616167e-03,
1.67199425e-07, -1.51676938e-04, 1.51509738e-04,
-2.49608084e-04, 5.30443950e-04, -2.80835868e-04,
0.00000000e+00, -2.62111844e-03, 3.98651257e-03,
-1.36539413e-03, 0.00000000e+00, 6.44660507e-03,
-5.35865499e-04, -6.50171039e-03]))
('conv_angle', 67.091331494913575)
('Site fractions', array([ 9.46900228e-01, 4.59279186e-02, 7.17185367e-03,
1.11998048e-06, 9.99735722e-01, 2.63157806e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.17115618e-01, 8.23500941e-01,
5.93834418e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.55554463e-01, 1.00000000e-12, 6.44981402e-01]))
('Chemical potentials', array([-41796.50574893, -36710.68434851, -51335.53834014]))
('Chem pot progress', array([-124.36312867, 21.19146966, -115.23572322]))
('Energy progress', -17.893578578310553)
('Driving force', -21.72660641308903)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63126719 0.36386385 0.00486896], NP=0.35555446312372685), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.11711562 0.82350094 0.05938344], NP=0.6449814023740266)])
('reduced_hessian eigenvalues', array([ -9.38071417e+04, 5.02780191e+03, 6.70602540e+03,
1.60272733e+04, 9.77413968e+04, 1.54913169e+05,
1.59230405e+06, 5.03215385e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02780191e+03, 6.70602540e+03, 1.60272733e+04,
9.38071417e+04, 9.77413968e+04, 1.54913169e+05,
1.59230405e+06, 5.03215385e+08]))
('NEW_L_MULTIPLIERS', array([ -2.47668584e+03, -8.80366445e+03, 3.11948970e+01,
1.04646426e+01, 5.17774849e+03, -1.70229838e+04,
-4.19184523e+04, -3.66894299e+04, -5.16798528e+04]))
('L_CONSTRAINTS', array([ -6.07153217e-18, 5.68121938e-17, 1.99997788e-12,
0.00000000e+00, 6.93889390e-18, 0.00000000e+00,
-1.27372286e-05, 5.16208474e-04, 3.23942538e-05]))
('penalty', 10000)
('old_driving_force', -38837.53950628751, 0.00051620847354727495)
('sublsum', -31.257190247369181)
(1.0, -38858.980094041588, 0.00026425796240958643)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6221307 0.36527392 0.01259539], NP=0.36564163385226717), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.11417088 0.82988237 0.05594676], NP=0.6346741753609006)])
('step', array([ -1.37048104e-02, 2.18299246e-03, 1.15218179e-02,
1.36159111e-07, -1.35794947e-04, 1.35658788e-04,
-2.55081497e-04, 5.32526479e-04, -2.77444985e-04,
0.00000000e+00, -2.94474217e-03, 6.38142549e-03,
-3.43668333e-03, 0.00000000e+00, 1.00871707e-02,
-3.15809214e-04, -1.03072270e-02]))
('conv_angle', 61.329973495040981)
('Site fractions', array([ 9.33195417e-01, 4.81109110e-02, 1.86936716e-02,
1.25613959e-06, 9.99599927e-01, 3.98816594e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.14170875e-01, 8.29882366e-01,
5.59467584e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.65641634e-01, 1.00000000e-12, 6.34674175e-01]))
('Chemical potentials', array([-41918.45231236, -36689.42994479, -51679.85280649]))
('Chem pot progress', array([-121.94656342, 21.25440371, -344.31446635]))
('Energy progress', -13.104845516856585)
('Driving force', -5.6208018217002973)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6221307 0.36527392 0.01259539], NP=0.36564163385226717), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.11417088 0.82988237 0.05594676], NP=0.6346741753609006)])
('reduced_hessian eigenvalues', array([ -9.37802683e+04, 5.02803837e+03, 6.20714500e+03,
1.53922347e+04, 6.98986361e+04, 9.82678544e+04,
1.07897940e+06, 4.60540324e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02803837e+03, 6.20714500e+03, 1.53922347e+04,
6.98986361e+04, 9.37802683e+04, 9.82678544e+04,
1.07897940e+06, 4.60540324e+08]))
('NEW_L_MULTIPLIERS', array([ -2.52558704e+03, -8.91803145e+03, -6.44239338e+00,
-1.95116927e+00, 5.11284658e+03, -1.68323356e+04,
-4.19144738e+04, -3.66953282e+04, -5.21188176e+04]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 2.05998413e-18, 1.99997788e-12,
0.00000000e+00, 1.38777878e-17, 0.00000000e+00,
-6.18092574e-05, 2.64257962e-04, 1.13360509e-04]))
('penalty', 10000)
('old_driving_force', -38858.928528207209, 0.00026425796240958643)
('sublsum', -10.900836737601256)
(1.0, -38867.971552670722, 7.1879657922692408e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61446313 0.36599397 0.0195429 ], NP=0.37226510766988247), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=5.886485516292241e-05), CompositionSet(BCC_A2, [ 0.11345194 0.834297 0.05225107], NP=0.6276760274749545)])
('step', array([ -1.15014219e-02, 1.09806310e-03, 1.04033588e-02,
1.56188307e-07, -3.59688378e-05, 3.58126495e-05,
-1.38901547e-04, 2.80323334e-04, -1.41421789e-04,
0.00000000e+00, -7.18939543e-04, 4.41463264e-03,
-3.69569310e-03, 0.00000000e+00, 6.62347382e-03,
5.88648542e-05, -6.99814789e-03]))
('conv_angle', 55.880762218203898)
('Site fractions', array([ 9.21693995e-01, 4.92089741e-02, 2.90970304e-02,
1.41232790e-06, 9.99563958e-01, 4.34629244e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.13451936e-01, 8.34296999e-01,
5.22510653e-02, 1.00000000e+00]))
('Phase fractions', array([ 3.72265108e-01, 5.88648552e-05, 6.27676027e-01]))
('Chemical potentials', array([-41914.47384562, -36695.32817359, -52118.81761584]))
('Chem pot progress', array([ 3.97846674, -5.8982288 , -438.96480935]))
('Energy progress', 6.058370582351927)
('Driving force', 8.6023070421433658)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61446313 0.36599397 0.0195429 ], NP=0.37226510766988247), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=5.886485516292241e-05), CompositionSet(BCC_A2, [ 0.11345194 0.834297 0.05225107], NP=0.6276760274749545)])
('reduced_hessian eigenvalues', array([ 2.35189089e+02, 7.85528829e+03, 1.51743115e+04,
5.22456244e+04, 1.00681658e+06, 4.16548097e+08,
9.87212545e+10, 2.96163763e+11]))
('NEW_L_MULTIPLIERS', array([ -2702.2287013 , -9462.89091352, 736.21023768, -3385.75721567,
4116.51255493, -13423.48540344, -41889.31920813, -36747.07502079,
-51272.38677515]))
('L_CONSTRAINTS', array([ 4.85722573e-17, -3.36102673e-18, 1.99997788e-12,
0.00000000e+00, -2.08166817e-17, 0.00000000e+00,
-4.57546544e-05, -2.61250035e-05, 7.18796579e-05]))
('penalty', 10000)
('old_driving_force', -38868.032594776312, 7.1879657922692408e-05)
('sublsum', -6.6336073453022317)
(1.0, -38849.987251019818, 0.0011282128887722953)
(0.5, -38866.458597076446, 0.00026899072045216688)
(0.25, -38869.771140197765, 5.5621626549651193e-05)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 0.61341213 0.36596407 0.0206238 ], NP=0.37825168357586236), CompositionSet(HCP_A3, [ 1.38058317e-08 9.99999972e-01 1.42688712e-08], NP=0.02558267245450984), CompositionSet(BCC_A2, [ 0.11392842 0.83205352 0.05401807], NP=0.5961656439695766)])
('step', array([ -6.30609518e-03, -1.45068205e-04, 6.45116339e-03,
1.28078799e-07, -6.85950474e-05, 6.84669686e-05,
5.52193267e-08, -1.12292811e-07, 5.70714847e-08,
0.00000000e+00, 1.90591977e-03, -8.97392905e-03,
7.06800928e-03, 0.00000000e+00, 2.39463036e-02,
1.02095230e-01, -1.26041534e-01]))
('conv_angle', 89.562635116407023)
('Site fractions', array([ 9.20117472e-01, 4.91727071e-02, 3.07098212e-02,
1.44434760e-06, 9.99546810e-01, 4.51745986e-04,
1.38058317e-08, 9.99999972e-01, 1.42688712e-08,
1.00000000e+00, 1.13928416e-01, 8.32053516e-01,
5.40180677e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.37825168, 0.02558267, 0.59616564]))
('Chemical potentials', array([-41889.31920813, -36747.07502079, -51272.38677515]))
('Chem pot progress', array([ 25.15463749, -51.74684719, 846.4308407 ]))
('Energy progress', -0.3868710535898572)
('Driving force', -0.12282558067090577)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61341213 0.36596407 0.0206238 ], NP=0.37825168357586236), CompositionSet(HCP_A3, [ 1.38058317e-08 9.99999972e-01 1.42688712e-08], NP=0.02558267245450984), CompositionSet(BCC_A2, [ 0.11392842 0.83205352 0.05401807], NP=0.5961656439695766)])
('reduced_hessian eigenvalues', array([ 3.00239976e+02, 7.73524431e+03, 1.51716109e+04,
5.06975794e+04, 9.81116889e+05, 4.13023534e+08,
4.40472582e+09, 1.32166504e+10]))
('NEW_L_MULTIPLIERS', array([ -2681.17510002, -9386.47747814, 623.97199532, -2846.90231713,
4269.31590164, -13948.70664092, -41890.02970855, -36747.17451236,
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('L_CONSTRAINTS', array([ 2.08166817e-17, -9.82829269e-17, 1.49999583e-12,
0.00000000e+00, -3.46944695e-17, 0.00000000e+00,
-5.56216265e-05, 5.09195529e-05, 4.70207360e-06]))
('penalty', 10000)
('old_driving_force', -38869.770812622533, 5.5621626549651193e-05)
('sublsum', -3.1119753087510005)
(1.0, -38864.394449527586, 0.00040894212831132926)
(0.5, -38869.516312346474, 0.00012769530854628286)
(0.25, -38870.292263562384, 6.374854772217553e-05)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 0.61262928 0.36593938 0.02143134], NP=0.3819523083974031), CompositionSet(HCP_A3, [ 1.59161112e-07 9.99999667e-01 1.74289266e-07], NP=0.040677755771375515), CompositionSet(BCC_A2, [ 0.11423265 0.83068858 0.05507877], NP=0.5773699358311604)])
('step', array([ -4.69716134e-03, -1.22875827e-04, 4.82003717e-03,
9.82636539e-08, -5.05557702e-05, 5.04575066e-05,
5.81421121e-07, -1.22150420e-06, 6.40081580e-07,
0.00000000e+00, 1.21693481e-03, -5.45972929e-03,
4.24279448e-03, 0.00000000e+00, 1.48024993e-02,
6.03803333e-02, -7.51828326e-02]))
('conv_angle', 89.640549596339952)
('Site fractions', array([ 9.18943181e-01, 4.91419881e-02, 3.19148305e-02,
1.46891351e-06, 9.99534171e-01, 4.64360363e-04,
1.59161112e-07, 9.99999667e-01, 1.74289266e-07,
1.00000000e+00, 1.14232650e-01, 8.30688584e-01,
5.50787663e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.38195231, 0.04067776, 0.57736994]))
('Chemical potentials', array([-41890.02970855, -36747.17451236, -51349.38007997]))
('Chem pot progress', array([ -0.71050043, -0.09949158, -76.99330483]))
('Energy progress', -0.44659629311354365)
('Driving force', 2.5520593958790414)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61262928 0.36593938 0.02143134], NP=0.3819523083974031), CompositionSet(HCP_A3, [ 1.59161112e-07 9.99999667e-01 1.74289266e-07], NP=0.040677755771375515), CompositionSet(BCC_A2, [ 0.11423265 0.83068858 0.05507877], NP=0.5773699358311604)])
('reduced_hessian eigenvalues', array([ 2.94532911e+02, 7.71631954e+03, 1.51463069e+04,
4.95313510e+04, 9.61772614e+05, 4.09535688e+08,
5.88224347e+08, 1.77042258e+09]))
('NEW_L_MULTIPLIERS', array([ -2687.2490624 , -9405.0144052 , 647.80148799, -2955.48022663,
4235.95124498, -13838.45474847, -41888.69097259, -36747.66863694,
-51334.2259242 ]))
('L_CONSTRAINTS', array([ 6.93889390e-18, 1.88651178e-17, 1.12489272e-12,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-5.03293553e-05, 6.37485477e-05, -1.34191924e-05]))
('penalty', 10000)
('old_driving_force', -38870.291961328439, 6.374854772217553e-05)
('sublsum', -1.9769919419999098)
(1.0, -38866.952726181997, 0.0002839162152545871)
(0.5, -38870.261948154795, 0.00010285332767479005)
(0.25, -38870.689818233186, 6.5556174245084975e-05)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 0.61201858 0.36592148 0.02205994], NP=0.38493040940706774), CompositionSet(HCP_A3, [ 1.03983170e-06 9.99997750e-01 1.21059206e-06], NP=0.052818778228741196), CompositionSet(BCC_A2, [ 0.11448973 0.82950986 0.05600042], NP=0.5622508123641317)])
('step', array([ -3.66422559e-03, -8.75595500e-05, 3.75178514e-03,
7.74511576e-08, -3.96629148e-05, 3.95854636e-05,
3.52268236e-06, -7.66789467e-06, 4.14521119e-06,
0.00000000e+00, 1.02830214e-03, -4.71491381e-03,
3.68661167e-03, 0.00000000e+00, 1.19124040e-02,
4.85640898e-02, -6.04764939e-02]))
('conv_angle', 89.737128255869294)
('Site fractions', array([ 9.18027125e-01, 4.91200982e-02, 3.28527768e-02,
1.48827630e-06, 9.99524255e-01, 4.74256728e-04,
1.03983170e-06, 9.99997750e-01, 1.21059206e-06,
1.00000000e+00, 1.14489725e-01, 8.29509856e-01,
5.60004192e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.38493041, 0.05281878, 0.56225081]))
('Chemical potentials', array([-41888.69097259, -36747.66863694, -51334.2259242 ]))
('Chem pot progress', array([ 1.33873596, -0.49412458, 15.15415577]))
('Energy progress', -0.3425857475376688)
('Driving force', 1.4366873983599362)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61201858 0.36592148 0.02205994], NP=0.38493040940706774), CompositionSet(HCP_A3, [ 1.03983170e-06 9.99997750e-01 1.21059206e-06], NP=0.052818778228741196), CompositionSet(BCC_A2, [ 0.11448973 0.82950986 0.05600042], NP=0.5622508123641317)])
('reduced_hessian eigenvalues', array([ 2.90721233e+02, 7.68641875e+03, 1.51189388e+04,
4.86588996e+04, 9.47326154e+05, 1.12744140e+08,
3.41408184e+08, 4.07227785e+08]))
('NEW_L_MULTIPLIERS', array([ -2692.82712757, -9422.15525867, 670.15298391, -3056.81379097,
4205.42982882, -13735.17165653, -41888.03931792, -36749.32048891,
-51308.55124709]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -5.78421859e-17, 8.43713931e-13,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
-4.34418008e-05, 6.55561742e-05, -2.21143735e-05]))
('penalty', 10000)
('old_driving_force', -38870.68911385566, 6.5556174245084975e-05)
('sublsum', -1.3421892593231504)
(1.0, -38868.805805551798, 0.00019763575594422544)
(0.5, -38870.875306371439, 8.2187026108515582e-05)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 0.61104795 0.3658939 0.02305815], NP=0.38977647268010857), CompositionSet(HCP_A3, [ 8.50102356e-06 9.99980868e-01 1.06313130e-05], NP=0.07256097219699735), CompositionSet(BCC_A2, [ 0.11492397 0.82748141 0.05759462], NP=0.5376625551228477)])
('step', array([ -2.91191261e-03, -6.65973903e-05, 2.97851000e-03,
6.20697215e-08, -3.23186410e-05, 3.22565713e-05,
1.49223837e-05, -3.37638264e-05, 1.88414418e-05,
0.00000000e+00, 8.68481645e-04, -4.05688829e-03,
3.18840664e-03, 0.00000000e+00, 9.69212655e-03,
3.94843879e-02, -4.91765145e-02]))
('conv_angle', 89.779477718377166)
('Site fractions', array([ 9.16571169e-01, 4.90867995e-02, 3.43420318e-02,
1.51931116e-06, 9.99508096e-01, 4.90385014e-04,
8.50102356e-06, 9.99980868e-01, 1.06313130e-05,
1.00000000e+00, 1.14923966e-01, 8.27481412e-01,
5.75946225e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.38977647, 0.07256097, 0.53766256]))
('Chemical potentials', array([-41888.03931792, -36749.32048891, -51308.55124709]))
('Chem pot progress', array([ 0.65165467, -1.65185197, 25.67467711]))
('Energy progress', -0.2155638773838291)
('Driving force', 0.78632104166172212)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61104795 0.3658939 0.02305815], NP=0.38977647268010857), CompositionSet(HCP_A3, [ 8.50102356e-06 9.99980868e-01 1.06313130e-05], NP=0.07256097219699735), CompositionSet(BCC_A2, [ 0.11492397 0.82748141 0.05759462], NP=0.5376625551228477)])
('reduced_hessian eigenvalues', array([ 2.72327050e+02, 7.62590591e+03, 1.50632164e+04,
4.73060160e+04, 9.24733797e+05, 1.80741153e+07,
5.54333917e+07, 4.02961823e+08]))
('NEW_L_MULTIPLIERS', array([ -2710.01228258, -9476.32827907, 743.32696999, -3387.02769738,
4107.30166223, -13400.64048227, -41887.12091373, -36756.28472132,
-51208.45357288]))
('L_CONSTRAINTS', array([ -6.93889390e-18, -2.12503626e-17, 4.21801035e-13,
0.00000000e+00, 2.08166817e-17, 0.00000000e+00,
-3.69545459e-05, 8.21870261e-05, -4.52324802e-05]))
('penalty', 10000)
('old_driving_force', -38870.870172396644, 8.2187026108515582e-05)
('sublsum', -1.0992862869020379)
(1.0, -38870.86930012067, 0.00012105438372134181)
(0.5, -38871.543546896188, 7.1357108984648754e-05)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 0.61039356 0.3658732 0.02373324], NP=0.3933942845305658), CompositionSet(HCP_A3, [ 4.51236454e-05 9.99893698e-01 6.11788079e-05], NP=0.08742265070437362), CompositionSet(BCC_A2, [ 0.11526589 0.82576957 0.05896454], NP=0.5191830647650312)])
('step', array([ -1.96318544e-03, -4.95522881e-05, 2.01273773e-03,
4.24197990e-08, -2.51076308e-05, 2.50652110e-05,
7.32452436e-05, -1.74340234e-04, 1.01094990e-04,
0.00000000e+00, 6.83843172e-04, -3.42368600e-03,
2.73984283e-03, 0.00000000e+00, 7.23562370e-03,
2.97233570e-02, -3.69589807e-02]))
('conv_angle', 89.754711046275034)
('Site fractions', array([ 9.15589576e-01, 4.90620234e-02, 3.53484007e-02,
1.54052106e-06, 9.99495542e-01, 5.02917620e-04,
4.51236454e-05, 9.99893698e-01, 6.11788079e-05,
1.00000000e+00, 1.15265888e-01, 8.25769569e-01,
5.89645439e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.39339428, 0.08742265, 0.51918306]))
('Chemical potentials', array([-41887.12091373, -36756.28472132, -51208.45357288]))
('Chem pot progress', array([ 0.91840419, -6.96423241, 100.09767422]))
('Energy progress', -0.5169507811806398)
('Driving force', 0.65164402593654813)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61039356 0.3658732 0.02373324], NP=0.3933942845305658), CompositionSet(HCP_A3, [ 4.51236454e-05 9.99893698e-01 6.11788079e-05], NP=0.08742265070437362), CompositionSet(BCC_A2, [ 0.11526589 0.82576957 0.05896454], NP=0.5191830647650312)])
('reduced_hessian eigenvalues', array([ 2.34331237e+02, 7.55821730e+03, 1.50155804e+04,
4.63805881e+04, 9.07543085e+05, 3.87885753e+06,
1.21411946e+07, 4.00534361e+08]))
('NEW_L_MULTIPLIERS', array([ -2754.37986221, -9616.85929119, 936.37998698, -4252.62663176,
3851.22270502, -12524.63964004, -41885.75177157, -36777.44918097,
-50922.53931329]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -3.02492406e-17, 2.10909225e-13,
0.00000000e+00, 7.63278329e-17, 0.00000000e+00,
-2.66189889e-05, 7.13571090e-05, -4.47381201e-05]))
('penalty', 10000)
('old_driving_force', -38871.52920894992, 7.1357108984648754e-05)
('sublsum', -2.6174903367842655)
(1.0, -38870.498922834762, 0.00022409960669445006)
(0.5, -38872.241480204604, 9.1703456165936892e-05)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 0.60961429 0.36583716 0.02454855], NP=0.3983068808209425), CompositionSet(HCP_A3, [ 1.92585649e-04 9.99520106e-01 2.87308514e-04], NP=0.107948268123951), CompositionSet(BCC_A2, [ 0.11572737 0.82325877 0.06101386], NP=0.4937448510550874)])
('step', array([ -2.33784356e-03, -8.92600871e-05, 2.42710364e-03,
5.11335839e-08, -3.76930121e-05, 3.76418785e-05,
2.94924008e-04, -7.47183421e-04, 4.52259413e-04,
0.00000000e+00, 9.22966612e-04, -5.02158925e-03,
4.09862264e-03, 0.00000000e+00, 9.82519258e-03,
4.10512348e-02, -5.08764274e-02]))
('conv_angle', 89.560502588540558)
('Site fractions', array([ 9.14420654e-01, 4.90173934e-02, 3.65619525e-02,
1.56608786e-06, 9.99476695e-01, 5.21738559e-04,
1.92585649e-04, 9.99520106e-01, 2.87308514e-04,
1.00000000e+00, 1.15727371e-01, 8.23258774e-01,
6.10138553e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.39830688, 0.10794827, 0.49374485]))
('Chemical potentials', array([-41885.75177157, -36777.44918097, -50922.53931329]))
('Chem pot progress', array([ 1.36914216, -21.16445965, 285.91425959]))
('Energy progress', -0.8244508832140127)
('Driving force', 1.6680141141405329)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60961429 0.36583716 0.02454855], NP=0.3983068808209425), CompositionSet(HCP_A3, [ 1.92585649e-04 9.99520106e-01 2.87308514e-04], NP=0.107948268123951), CompositionSet(BCC_A2, [ 0.11572737 0.82325877 0.06101386], NP=0.4937448510550874)])
('reduced_hessian eigenvalues', array([ 1.98203609e+02, 7.43722082e+03, 1.49406638e+04,
4.52158046e+04, 8.77754064e+05, 1.04683387e+06,
3.36928188e+06, 3.98136958e+08]))
('NEW_L_MULTIPLIERS', array([ -2852.36515227, -9924.15456031, 1362.78529108, -6138.98156279,
3290.44816462, -10609.94520601, -41882.3500737 , -36828.52424124,
-50275.27186313]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 4.55364912e-18, 1.05500352e-13,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
-2.58503087e-05, 9.17034562e-05, -6.58531474e-05]))
('penalty', 10000)
('old_driving_force', -38872.19408391133, 9.1703456165936892e-05)
('sublsum', -7.3582434883542671)
(1.0, -38864.407108877305, 0.00074635427262281784)
(0.5, -38872.432352417745, 0.00023244029623858964)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 0.60817358 0.36575269 0.02607373], NP=0.40758464052087706), CompositionSet(HCP_A3, [ 6.90793022e-04 9.98142883e-01 1.16632396e-03], NP=0.1468157392371227), CompositionSet(BCC_A2, [ 0.11662129 0.81825513 0.06512358], NP=0.44559962024198657)])
('step', array([ -4.32216778e-03, -2.14053359e-04, 4.53622113e-03,
9.66788987e-08, -7.87205097e-05, 7.86238308e-05,
9.96414745e-04, -2.75444563e-03, 1.75803088e-03,
0.00000000e+00, 1.78784078e-03, -1.00072815e-02,
8.21944075e-03, 0.00000000e+00, 1.85555194e-02,
7.77349422e-02, -9.62904616e-02]))
('conv_angle', 89.438651753061137)
('Site fractions', array([ 9.12259570e-01, 4.89103667e-02, 3.88300630e-02,
1.61442731e-06, 9.99437335e-01, 5.61050474e-04,
6.90793022e-04, 9.98142883e-01, 1.16632396e-03,
1.00000000e+00, 1.16621291e-01, 8.18255133e-01,
6.51235756e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.40758464, 0.14681574, 0.44559962]))
('Chemical potentials', array([-41882.3500737 , -36828.52424124, -50275.27186313]))
('Chem pot progress', array([ 3.40169787, -51.07506026, 647.26745016]))
('Energy progress', -1.3629505082280957)
('Driving force', 5.4607375069681439)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60817358 0.36575269 0.02607373], NP=0.40758464052087706), CompositionSet(HCP_A3, [ 6.90793022e-04 9.98142883e-01 1.16632396e-03], NP=0.1468157392371227), CompositionSet(BCC_A2, [ 0.11662129 0.81825513 0.06512358], NP=0.44559962024198657)])
('reduced_hessian eigenvalues', array([ 2.38300897e+02, 7.17359868e+03, 1.47412440e+04,
4.28922165e+04, 3.49846014e+05, 8.34209071e+05,
1.20299316e+06, 3.93727984e+08]))
('NEW_L_MULTIPLIERS', array([ -2930.88556631, -10162.28200726, 1707.38743836, -7580.2742272 ,
2851.14764434, -9128.79061789, -41878.14428679, -36878.05482354,
-49751.20802073]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -2.99239800e-17, 5.27277874e-14,
0.00000000e+00, -4.16333634e-17, 0.00000000e+00,
-4.99656258e-05, 2.32440296e-04, -1.82474670e-04]))
('penalty', 10000)
('old_driving_force', -38872.325000992845, 0.00023244029623858964)
('sublsum', -12.664167731339575)
(1.0, -38871.390679487951, 0.00068584704744534264)
(0.5, -38876.284204578573, 0.00028768190998063048)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 0.60650527 0.36563751 0.02785721], NP=0.41759488805238015), CompositionSet(HCP_A3, [ 0.00163916 0.99513287 0.00322797], NP=0.18836875689489188), CompositionSet(BCC_A2, [ 0.11765906 0.81248184 0.0698591 ], NP=0.394036355052719)])
('step', array([ -5.00499089e-03, -2.97053660e-04, 5.30204455e-03,
1.18057566e-07, -9.69526387e-05, 9.68345811e-05,
1.89673491e-03, -6.02002160e-03, 4.12328669e-03,
0.00000000e+00, 2.07552794e-03, -1.15465822e-02,
9.47105429e-03, 0.00000000e+00, 2.00204951e-02,
8.31060353e-02, -1.03126530e-01]))
('conv_angle', 89.066979493208677)
('Site fractions', array([ 9.09757075e-01, 4.87618399e-02, 4.14810853e-02,
1.67345609e-06, 9.99388859e-01, 6.09467765e-04,
1.63916048e-03, 9.95132872e-01, 3.22796730e-03,
1.00000000e+00, 1.17659055e-01, 8.12481842e-01,
6.98591028e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.41759489, 0.18836876, 0.39403636]))
('Chemical potentials', array([-41878.14428679, -36878.05482354, -49751.20802073]))
('Chem pot progress', array([ 4.20578691, -49.5305823 , 524.06384241]))
('Energy progress', -4.3987261564980145)
('Driving force', 10.969947622761538)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60650527 0.36563751 0.02785721], NP=0.41759488805238015), CompositionSet(HCP_A3, [ 0.00163916 0.99513287 0.00322797], NP=0.18836875689489188), CompositionSet(BCC_A2, [ 0.11765906 0.81248184 0.0698591 ], NP=0.394036355052719)])
('reduced_hessian eigenvalues', array([ 3.21201204e+02, 6.83867379e+03, 1.44153428e+04,
3.98875939e+04, 1.60768553e+05, 5.96689524e+05,
7.88303037e+05, 3.87626161e+08]))
('NEW_L_MULTIPLIERS', array([ -2944.70460223, -10204.20401933, 1785.76815976, -7834.78360835,
2761.66548908, -8854.00091404, -41877.01045871, -36882.77149856,
-49737.8076758 ]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 9.43255890e-18, 2.63391739e-14,
0.00000000e+00, -1.11022302e-16, 0.00000000e+00,
-5.57859842e-05, 2.87681910e-04, -2.31895926e-04]))
('penalty', 10000)
('old_driving_force', -38876.27967693939, 0.00028768190998063048)
('sublsum', -10.474536977850047)
(1.0, -38886.847024654577, 6.9604755688512654e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60465299 0.36550743 0.02983958], NP=0.42947940494145703), CompositionSet(HCP_A3, [ 0.00353063 0.98799636 0.00847301], NP=0.23844577814502702), CompositionSet(BCC_A2, [ 0.11886003 0.80556584 0.07557413], NP=0.33207481691351465)])
('step', array([ -2.77846385e-03, -1.66893676e-04, 2.94535753e-03,
6.90960377e-08, -5.64631199e-05, 5.63940238e-05,
1.89146994e-03, -7.13650987e-03, 5.24503994e-03,
0.00000000e+00, 1.20097288e-03, -6.91599829e-03,
5.71502541e-03, 0.00000000e+00, 1.18845169e-02,
5.00770213e-02, -6.19615381e-02]))
('conv_angle', 87.992036215384005)
('Site fractions', array([ 9.06978611e-01, 4.85949462e-02, 4.44264428e-02,
1.74255213e-06, 9.99332396e-01, 6.65861789e-04,
3.53063041e-03, 9.87996362e-01, 8.47300724e-03,
1.00000000e+00, 1.18860028e-01, 8.05565844e-01,
7.55741282e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.4294794 , 0.23844578, 0.33207482]))
('Chemical potentials', array([-41877.01045871, -36882.77149856, -49737.8076758 ]))
('Chem pot progress', array([ 1.13382807, -4.71667502, 13.40034493]))
('Energy progress', -8.58410199129139)
('Driving force', 7.0055139238029369)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60465299 0.36550743 0.02983958], NP=0.42947940494145703), CompositionSet(HCP_A3, [ 0.00353063 0.98799636 0.00847301], NP=0.23844577814502702), CompositionSet(BCC_A2, [ 0.11886003 0.80556584 0.07557413], NP=0.33207481691351465)])
('reduced_hessian eigenvalues', array([ 3.71928809e+02, 6.37509830e+03, 1.38471959e+04,
3.52878649e+04, 7.62717591e+04, 3.18240967e+05,
7.33764351e+05, 3.81253302e+08]))
('NEW_L_MULTIPLIERS', array([ -2933.10267706, -10178.60318385, 1768.00878554, -7717.6371367 ,
2790.07157816, -8972.28244537, -41879.14617487, -36860.67060246,
-49949.05623287]))
('L_CONSTRAINTS', array([ -6.93889390e-18, -9.93129190e-17, 2.25514052e-17,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
-1.70847351e-06, 6.96047557e-05, -6.78962822e-05]))
('penalty', 10000)
('old_driving_force', -38886.862909622512, 6.9604755688512654e-05)
('sublsum', -1.5484639774425)
(1.0, -38888.785246479281, 1.5631466139476302e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6054182 0.36558329 0.02899851], NP=0.42810235212417413), CompositionSet(HCP_A3, [ 0.00408464 0.98493592 0.01097944], NP=0.23557859026225006), CompositionSet(BCC_A2, [ 0.11849641 0.80720596 0.07429762], NP=0.3363190576135758)])
('step', array([ 1.14783967e-03, 1.01885792e-04, -1.24972546e-03,
-2.93152481e-08, 2.38105970e-05, -2.37812817e-05,
5.54013452e-04, -3.06044173e-03, 2.50642828e-03,
0.00000000e+00, -3.63613794e-04, 1.64012114e-03,
-1.27650735e-03, 0.00000000e+00, -1.37705282e-03,
-2.86718788e-03, 4.24424070e-03]))
('conv_angle', 67.83292316253393)
('Site fractions', array([ 9.08126451e-01, 4.86968320e-02, 4.31767174e-02,
1.71323688e-06, 9.99356206e-01, 6.42080507e-04,
4.08464387e-03, 9.84935921e-01, 1.09794355e-02,
1.00000000e+00, 1.18496414e-01, 8.07205965e-01,
7.42976208e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.42810235, 0.23557859, 0.33631906]))
('Chemical potentials', array([-41879.14617487, -36860.67060246, -49949.05623287]))
('Chem pot progress', array([ -2.13571616, 22.1008961 , -211.24855707]))
('Energy progress', -1.5692834231813322)
('Driving force', 0.6508235956862336)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6054182 0.36558329 0.02899851], NP=0.42810235212417413), CompositionSet(HCP_A3, [ 0.00408464 0.98493592 0.01097944], NP=0.23557859026225006), CompositionSet(BCC_A2, [ 0.11849641 0.80720596 0.07429762], NP=0.3363190576135758)])
('reduced_hessian eigenvalues', array([ 3.51620686e+02, 6.46960105e+03, 1.38495209e+04,
3.56828196e+04, 6.05603989e+04, 2.69547274e+05,
7.57758926e+05, 3.86717180e+08]))
('NEW_L_MULTIPLIERS', array([ -2928.72324939, -10166.06392397, 1751.68561214, -7644.89903291,
2811.65115519, -9046.54187818, -41879.47375615, -36857.01079723,
-49991.42524259]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 8.33751471e-17, -3.81639165e-17,
0.00000000e+00, 1.11022302e-16, 0.00000000e+00,
-4.18546889e-06, 1.56314661e-05, -1.14459972e-05]))
('penalty', 10000)
('old_driving_force', -38888.785790014052, 1.5631466139476302e-05)
('sublsum', -0.034915277140247433)
(1.0, -38889.062957382099, 2.6608985839171595e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60556336 0.36559367 0.02884297], NP=0.42751924625368887), CompositionSet(HCP_A3, [ 0.00414152 0.98449419 0.01136429], NP=0.23341979002372423), CompositionSet(BCC_A2, [ 0.11839407 0.80783084 0.07377509], NP=0.33906096372258687)])
('step', array([ 2.17739153e-04, 1.34073461e-05, -2.31146499e-04,
-5.15997169e-09, 4.33183431e-06, -4.32667434e-06,
5.68750497e-05, -4.41730571e-04, 3.84855522e-04,
0.00000000e+00, -1.02345188e-04, 6.24873486e-04,
-5.22528298e-04, 0.00000000e+00, -5.83105870e-04,
-2.15880024e-03, 2.74190611e-03]))
('conv_angle', 85.491713213994316)
('Site fractions', array([ 9.08344190e-01, 4.87102393e-02, 4.29455709e-02,
1.70807691e-06, 9.99360538e-01, 6.37753833e-04,
4.14151892e-03, 9.84494190e-01, 1.13642910e-02,
1.00000000e+00, 1.18394069e-01, 8.07830838e-01,
7.37750925e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.42751925, 0.23341979, 0.33906096]))
('Chemical potentials', array([-41879.47375615, -36857.01079723, -49991.42524259]))
('Chem pot progress', array([ -0.32758128, 3.65980523, -42.36900972]))
('Energy progress', -0.15812350421765586)
('Driving force', 0.010087363967613783)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60556336 0.36559367 0.02884297], NP=0.42751924625368887), CompositionSet(HCP_A3, [ 0.00414152 0.98449419 0.01136429], NP=0.23341979002372423), CompositionSet(BCC_A2, [ 0.11839407 0.80783084 0.07377509], NP=0.33906096372258687)])
('reduced_hessian eigenvalues', array([ 3.46951415e+02, 6.50240915e+03, 1.38663830e+04,
3.58973811e+04, 5.85164747e+04, 2.63673250e+05,
7.61915171e+05, 3.87431645e+08]))
('NEW_L_MULTIPLIERS', array([ -2928.60036764, -10165.69413612, 1751.17725693, -7642.65066009,
2812.31817261, -9048.8225454 , -41879.47873723, -36856.93069078,
-49992.45790305]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -1.44090469e-16, 7.63278329e-17,
0.00000000e+00, -4.16333634e-17, 0.00000000e+00,
-4.88045083e-07, 2.66089858e-06, -2.17285350e-06]))
('penalty', 10000)
('old_driving_force', -38889.062959841503, 2.6608985839171595e-06)
('sublsum', -1.8437389761676726e-05)
(1.0, -38889.1161515813, 1.772771485164526e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60556682 0.36559385 0.02883933], NP=0.42750241039894654), CompositionSet(HCP_A3, [ 0.00414252 0.98448356 0.01137392], NP=0.23335216195837125), CompositionSet(BCC_A2, [ 0.11839186 0.80784335 0.07376478], NP=0.3391454276426822)])
('step', array([ 5.18710281e-06, 2.23356567e-07, -5.41045937e-06,
-1.17799485e-10, 9.91952272e-08, -9.90774276e-08,
9.99423511e-07, -1.06267502e-05, 9.62732666e-06,
0.00000000e+00, -2.20721864e-06, 1.25162145e-05,
-1.03089959e-05, 0.00000000e+00, -1.68358547e-05,
-6.76280654e-05, 8.44639201e-05]))
('conv_angle', 87.368323398257544)
('Site fractions', array([ 9.08349377e-01, 4.87104627e-02, 4.29401604e-02,
1.70795911e-06, 9.99360637e-01, 6.37654755e-04,
4.14251834e-03, 9.84483563e-01, 1.13739184e-02,
1.00000000e+00, 1.18391862e-01, 8.07843355e-01,
7.37647835e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.42750241, 0.23335216, 0.33914543]))
('Chemical potentials', array([-41879.47873723, -36856.93069078, -49992.45790305]))
('Chem pot progress', array([-0.00498108, 0.08010644, -1.03266046]))
('Energy progress', -0.03098127660632599)
('Driving force', 6.1703758547082543e-06)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60556682 0.36559385 0.02883933], NP=0.42750241039894654), CompositionSet(HCP_A3, [ 0.00414252 0.98448356 0.01137392], NP=0.23335216195837125), CompositionSet(BCC_A2, [ 0.11839186 0.80784335 0.07376478], NP=0.3391454276426822)])
('reduced_hessian eigenvalues', array([ 3.46819867e+02, 6.50214709e+03, 1.38674002e+04,
3.59046485e+04, 5.84658904e+04, 2.63542834e+05,
7.62009513e+05, 3.87445301e+08]))
('NEW_L_MULTIPLIERS', array([ -2928.60030303, -10165.69394485, 1751.17696436, -7642.64936045,
2812.31855261, -9048.82383526, -41879.47874045, -36856.93064296,
-49992.45851372]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 5.68121938e-17, -4.51028104e-17,
0.00000000e+00, 4.16333634e-17, 0.00000000e+00,
-3.12238402e-10, 1.77277149e-09, -1.46053319e-09]))
('penalty', 10000)
('old_driving_force', -38889.1161515813, 1.772771485164526e-09)
('sublsum', -7.4933894187814297e-12)
(1.0, -38889.116187036721, 6.6613381477509392e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60556682 0.36559385 0.02883932], NP=0.42750240180449695), CompositionSet(HCP_A3, [ 0.00414252 0.98448356 0.01137392], NP=0.2333521234545179), CompositionSet(BCC_A2, [ 0.11839186 0.80784336 0.07376478], NP=0.3391454747409852)])
('step', array([ 2.88202044e-09, 2.10480301e-10, -3.09250070e-09,
-6.01054810e-14, 6.50348579e-11, -6.49748093e-11,
4.60510588e-10, -6.84772842e-09, 6.38721788e-09,
0.00000000e+00, -2.44329990e-09, 8.12732047e-09,
-5.68402061e-09, 0.00000000e+00, -8.59444959e-09,
-3.85038534e-08, 4.70983030e-08]))
('conv_angle', 86.691046862412449)
('Site fractions', array([ 9.08349380e-01, 4.87104629e-02, 4.29401573e-02,
1.70795905e-06, 9.99360637e-01, 6.37654690e-04,
4.14251880e-03, 9.84483556e-01, 1.13739248e-02,
1.00000000e+00, 1.18391859e-01, 8.07843363e-01,
7.37647779e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.4275024 , 0.23335212, 0.33914547]))
('Chemical potentials', array([-41879.47874045, -36856.93064296, -49992.45851372]))
('Chem pot progress', array([ -3.21865809e-06, 4.78225920e-05, -6.10673495e-04]))
('Energy progress', -2.0753104763571173e-05)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.11839176 0.80784346 0.07376477], NP=1.0), -2.764863893389702e-10), (CompositionSet(BCC_A2, [ 0.11839186 0.80784338 0.07376475], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.11839187 0.80784338 0.07376475], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.11839186 0.80784336 0.07376478], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.11839185 0.8078434 0.07376475], NP=1.0), -2.9103830456733704e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.23734549884633457), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.023414053673233216), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.7392404474804323)])
('reduced_hessian eigenvalues', array([ -7.86185694e+01, 3.76698769e+03, 7.28540401e+03,
3.92398598e+13, 1.17697073e+14, 1.31631669e+14,
3.93644119e+14, 5.08847272e+14]))
('reduced_hessian modified eigenvalues', array([ 7.86127890e+01, 3.76696813e+03, 7.28539534e+03,
3.92398598e+13, 1.17697073e+14, 1.31631669e+14,
3.93644119e+14, 5.08847272e+14]))
('NEW_L_MULTIPLIERS', array([ 1216.48370174, 4562.28334487, -13848.88359047, 63222.17190816,
25659.05515236, -83036.0410301 , -40884.88464964, -37046.90450764,
-58514.4481442 ]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.99922887e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -39063.055738398813, 1.9992288680364425e-16)
('sublsum', -949.27561358057437)
(1.0, -31494.547566026304, 0.34000000000145425)
(0.5, -33777.201153904942, 0.3346546377524463)
(0.25, -35650.828367421229, 0.25208038431059054)
(0.125, -36852.497991715492, 0.20986340551553118)
(0.0625, -38048.974666006368, 0.1019278376125039)
(0.03125, -38694.693890333285, 0.038113890461824118)
(0, -39063.055738398813, 1.9992288480354738e-16)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.23734549884633457), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.023414053673233216), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.7392404474804323)])
('step', array([ -7.06067542e-02, 7.06067543e-02, -2.88955510e-11,
-1.54152760e-11, 3.90111134e-11, -2.35955890e-11,
-2.60339171e-09, 5.31127238e-09, -2.70788041e-09,
0.00000000e+00, -1.61123378e-01, 5.05693116e-01,
-3.44569738e-01, 0.00000000e+00, -4.21422379e-01,
-1.93231816e+00, 2.35374054e+00]))
('conv_angle', 89.836982805462057)
('Site fractions', array([ 8.88888889e-01, 1.11111111e-01, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.61450602e-01, 7.30330211e-01,
1.08219187e-01, 1.00000000e+00]))
('Phase fractions', array([ 0.2373455 , 0.02341405, 0.73924045]))
('Chemical potentials', array([-40884.88464964, -37046.90450764, -58514.4481442 ]))
('Chem pot progress', array([ 502.52593889, -299.84776982, -7898.55391395]))
('Energy progress', 0.0)
('Driving force', 699.12709708615876)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.23734549884633457), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.023414053673233216), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.7392404474804323)])
('reduced_hessian eigenvalues', array([ -1.37212612e+03, 3.79986255e+03, 7.02286488e+03,
3.92398598e+13, 1.17697073e+14, 1.31631669e+14,
3.93644119e+14, 5.08847272e+14]))
('reduced_hessian modified eigenvalues', array([ 1.37212143e+03, 3.79984990e+03, 7.02286446e+03,
3.92398598e+13, 1.17697073e+14, 1.31631669e+14,
3.93644119e+14, 5.08847272e+14]))
('NEW_L_MULTIPLIERS', array([ -1689.34103533, -6088.25060226, -715.46829378, 3112.81115831,
7239.40013668, -22803.61636688, -42222.33363834, -36977.59828906,
-47063.90835588]))
('L_CONSTRAINTS', array([ -1.86045097e-16, -1.99922885e-16, -1.99922885e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -39063.05573839882, 1.9992288480354738e-16)
('sublsum', -214.75770555673193)
(1.0, -38967.66340001257, 0.10461764434407228)
(0.5, -39092.402685802845, 0.037446715265203823)
('alpha', 0.5)
('Phases', [CompositionSet(LAVES_C15, [ 6.34677715e-01 3.65322285e-01 1.80791514e-11], NP=0.23985111491549435), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13360698 0.76643381 0.09995921], NP=0.7956639577709621)])
('step', array([ 1.26255367e-01, -1.26255367e-01, 3.65324766e-11,
2.03890488e-11, -4.97989015e-11, 2.94099554e-11,
-1.29735080e-10, 2.55280448e-10, -1.25545196e-10,
0.00000000e+00, -5.56872495e-02, 7.22071962e-02,
-1.65199467e-02, 0.00000000e+00, 5.01123214e-03,
-1.17858253e-01, 1.12847021e-01]))
('conv_angle', 88.533075251288111)
('Site fractions', array([ 9.52016573e-01, 4.79834274e-02, 1.92662383e-11,
1.11945244e-11, 1.00000000e+00, 1.57049777e-11,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.33606978e-01, 7.66433809e-01,
9.99592133e-02, 1.00000000e+00]))
('Phase fractions', array([ 2.39851115e-01, 1.00000000e-12, 7.95663958e-01]))
('Chemical potentials', array([-42222.33363834, -36977.59828906, -47063.90835588]))
('Chem pot progress', array([ -1337.44898869, 69.30621857, 11450.53978832]))
('Energy progress', -1369.599993897762)
('Driving force', 16.35324157152354)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.34677715e-01 3.65322285e-01 1.80791514e-11], NP=0.23985111491549435), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13360698 0.76643381 0.09995921], NP=0.7956639577709621)])
('reduced_hessian eigenvalues', array([ -9.60615184e+04, 5.02066024e+03, 6.63069669e+03,
1.09875452e+04, 1.00359209e+05, 1.41046119e+13,
3.86140248e+13, 4.48124318e+13]))
('reduced_hessian modified eigenvalues', array([ 5.02065915e+03, 6.63069666e+03, 1.09875549e+04,
9.60615185e+04, 1.00359208e+05, 1.41046119e+13,
3.86140248e+13, 4.48124318e+13]))
('NEW_L_MULTIPLIERS', array([ -1897.73288516, -6236.62597945, 2085.67299393, 680.74041652,
5909.46449381, -21528.99533491, -41629.16384442, -35293.55655154,
-47426.12438538]))
('L_CONSTRAINTS', array([ -1.14092333e-16, -1.26180460e-16, 1.99997788e-12,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
-1.46558589e-03, 3.74467153e-02, -4.66056690e-04]))
('penalty', 10000)
('old_driving_force', -38800.35876856817, 0.037446715265203823)
('sublsum', 59.089205348745338)
(1.0, -38955.02606720636, 0.020554831451907285)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39910632e-01 3.60089367e-01 4.05035072e-10], NP=0.25117773435606855), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12923853 0.76692315 0.10383832], NP=0.7694491962728035)])
('step', array([ 7.84937602e-03, -7.84937645e-03, 4.37681576e-10,
1.31858022e-10, -4.17362510e-10, 2.85504611e-10,
-9.30428828e-03, 2.07181513e-02, -1.14138630e-02,
0.00000000e+00, -4.36844354e-03, 4.89339173e-04,
3.87910437e-03, 0.00000000e+00, 1.13266194e-02,
-2.06269306e-02, -2.62147615e-02]))
('conv_angle', 92.671683759243834)
('Site fractions', array([ 9.59865949e-01, 4.01340509e-02, 4.56947814e-10,
1.43052546e-10, 1.00000000e+00, 3.01209589e-10,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.29238534e-01, 7.66923148e-01,
1.03838318e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.51177734e-01, 1.00000000e-12, 7.69449196e-01]))
('Chemical potentials', array([-41629.16384442, -35293.55655154, -47426.12438538]))
('Chem pot progress', array([ 593.16979392, 1684.04173752, -362.2160295 ]))
('Energy progress', 541.4615199076143)
('Driving force', -1251.9092949530459)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39910632e-01 3.60089367e-01 4.05035072e-10], NP=0.25117773435606855), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12923853 0.76692315 0.10383832], NP=0.7694491962728035)])
('reduced_hessian eigenvalues', array([ -9.48057533e+04, 5.02228939e+03, 7.08909383e+03,
1.39753776e+04, 9.87142455e+04, 8.53497190e+11,
1.69495166e+12, 3.28803308e+12]))
('reduced_hessian modified eigenvalues', array([ 5.02228937e+03, 7.08909384e+03, 1.39753775e+04,
9.48057533e+04, 9.87142456e+04, 8.53497190e+11,
1.69495166e+12, 3.28803308e+12]))
('NEW_L_MULTIPLIERS', array([ -1851.738882 , -6170.82984444, 1230.07512528, 408.66062442,
6134.61220606, -20787.27696121, -41562.13197361, -36044.36939021,
-47676.62359063]))
('L_CONSTRAINTS', array([ 4.30627723e-17, 8.68381619e-17, 1.99997788e-12,
0.00000000e+00, 4.16333634e-17, 0.00000000e+00,
1.73788969e-04, 2.05548315e-02, -1.01689791e-04]))
('penalty', 10000)
('old_driving_force', -38939.630358465532, 0.020554831451907285)
('sublsum', 17.49197868370581)
(1.0, -39017.654392964781, 0.012097505204450965)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39536108e-01 3.60463885e-01 7.49939764e-09], NP=0.250835297108469), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13079866 0.76412293 0.10507841], NP=0.7612393469664783)])
('step', array([ -5.61787750e-04, 5.61779287e-04, 8.46271420e-09,
1.26225823e-09, -5.61991763e-09, 4.35765931e-09,
-5.07492088e-03, 1.12628273e-02, -6.18790639e-03,
0.00000000e+00, 1.56013085e-03, -2.80021916e-03,
1.24008831e-03, 0.00000000e+00, -3.42437248e-04,
-1.20746441e-02, -8.20984931e-03]))
('conv_angle', 91.970232479245027)
('Site fractions', array([ 9.59304161e-01, 4.06958302e-02, 8.91966201e-09,
1.40531078e-09, 9.99999994e-01, 4.65886890e-09,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.30798665e-01, 7.64122929e-01,
1.05078406e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.50835297e-01, 1.00000000e-12, 7.61239347e-01]))
('Chemical potentials', array([-41562.13197361, -36044.36939021, -47676.62359063]))
('Chem pot progress', array([ 67.03187081, -750.81283867, -250.49920525]))
('Energy progress', 317.30161830330326)
('Driving force', -729.29005838329613)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39536108e-01 3.60463885e-01 7.49939764e-09], NP=0.250835297108469), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13079866 0.76412293 0.10507841], NP=0.7612393469664783)])
('reduced_hessian eigenvalues', array([ -9.48301972e+04, 5.02292633e+03, 6.94476886e+03,
1.35624434e+04, 9.89402740e+04, 5.88478755e+10,
8.67010171e+10, 3.12695614e+11]))
('reduced_hessian modified eigenvalues', array([ 5.02292634e+03, 6.94476886e+03, 1.35624434e+04,
9.48301972e+04, 9.89402740e+04, 5.88478755e+10,
8.67010171e+10, 3.12695614e+11]))
('NEW_L_MULTIPLIERS', array([ -1825.10600299, -6121.52616485, 819.11514954, 269.47403656,
6226.83521873, -20480.22525972, -41505.57037428, -36413.0459251 ,
-47768.20105511]))
('L_CONSTRAINTS', array([ -1.94414824e-17, -5.94207112e-17, 1.99997788e-12,
0.00000000e+00, -6.93889390e-17, 0.00000000e+00,
-1.26801880e-05, 1.20975052e-02, -1.01809405e-05]))
('penalty', 10000)
('old_driving_force', -39013.194541797442, 0.012097505204450965)
('sublsum', 5.5330033788865105)
(1.0, -39050.900234573011, 0.008056846967030018)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39788381e-01 3.60211501e-01 1.18068635e-07], NP=0.2500102852087335), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13197484 0.76249195 0.10553321], NP=0.7580411373325513)])
('step', array([ 3.78405602e-04, -3.78544097e-04, 1.38495882e-07,
9.25819896e-09, -6.39741463e-08, 5.47159474e-08,
-2.98972897e-03, 6.67328758e-03, -3.68355861e-03,
0.00000000e+00, 1.17617087e-03, -1.63097655e-03,
4.54805685e-04, 0.00000000e+00, -8.25011900e-04,
-8.05142254e-03, -3.19820963e-03]))
('conv_angle', 91.262362101082786)
('Site fractions', array([ 9.59682566e-01, 4.03172861e-02, 1.47415544e-07,
1.06635097e-08, 9.99999930e-01, 5.93748163e-08,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.31974836e-01, 7.62491953e-01,
1.05533212e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.50010285e-01, 1.00000000e-12, 7.58041137e-01]))
('Chemical potentials', array([-41505.57037428, -36413.0459251 , -47768.20105511]))
('Chem pot progress', array([ 56.56159933, -368.67653488, -91.57746448]))
('Energy progress', 149.2295607654596)
('Driving force', -486.00825622337288)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39788381e-01 3.60211501e-01 1.18068635e-07], NP=0.2500102852087335), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13197484 0.76249195 0.10553321], NP=0.7580411373325513)])
('reduced_hessian eigenvalues', array([ -9.48518698e+04, 5.02321786e+03, 6.85717828e+03,
1.35497371e+04, 9.90640068e+04, 4.77613881e+09,
5.24559961e+09, 3.94490196e+10]))
('reduced_hessian modified eigenvalues', array([ 5.02321786e+03, 6.85717828e+03, 1.35497371e+04,
9.48518698e+04, 9.90640067e+04, 4.77613881e+09,
5.24559961e+09, 3.94490196e+10]))
('NEW_L_MULTIPLIERS', array([ -1811.6285893 , -6096.66675645, 623.35753535, 203.88405299,
6271.92934159, -20332.95507995, -41476.92411045, -36591.34842482,
-47811.62101011]))
('L_CONSTRAINTS', array([ -1.57822885e-17, -1.24476521e-17, 1.99997788e-12,
0.00000000e+00, 1.66533454e-16, 0.00000000e+00,
-3.96976961e-06, 8.05684697e-03, -1.45465513e-06]))
('penalty', 10000)
('old_driving_force', -39049.463628060475, 0.008056846967030018)
('sublsum', 1.9665911910212821)
(1.0, -39067.781401703651, 0.0061266927510502667)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39884826e-01 3.60113620e-01 1.55428661e-06], NP=0.24957084869745497), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13257796 0.76168043 0.10574161], NP=0.7565545946812285)])
('step', array([ 1.44642154e-04, -1.46522196e-04, 1.88004167e-06,
4.90891136e-08, -5.97659705e-07, 5.48570592e-07,
-1.98684162e-03, 4.47651227e-03, -2.48967066e-03,
0.00000000e+00, 6.03120642e-04, -8.11519963e-04,
2.08399321e-04, 0.00000000e+00, -4.39436511e-04,
-6.12544338e-03, -1.48654265e-03]))
('conv_angle', 90.798176401317519)
('Site fractions', array([ 9.59827209e-01, 4.01707639e-02, 2.02745721e-06,
5.97526233e-08, 9.99999332e-01, 6.07945408e-07,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32577956e-01, 7.61680433e-01,
1.05741611e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.49570849e-01, 1.00000000e-12, 7.56554595e-01]))
('Chemical potentials', array([-41476.92411045, -36591.34842482, -47811.62101011]))
('Chem pot progress', array([ 28.64626382, -178.30249973, -43.419955 ]))
('Energy progress', 71.47204776154103)
('Driving force', -369.84091303559399)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39884826e-01 3.60113620e-01 1.55428661e-06], NP=0.24957084869745497), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13257796 0.76168043 0.10574161], NP=0.7565545946812285)])
('reduced_hessian eigenvalues', array([ -9.48631440e+04, 5.02335727e+03, 6.80270303e+03,
1.35324576e+04, 9.91237930e+04, 3.78568254e+08,
4.79653550e+08, 6.86152430e+09]))
('reduced_hessian modified eigenvalues', array([ 5.02335727e+03, 6.80270303e+03, 1.35324576e+04,
9.48631440e+04, 9.91237930e+04, 3.78568254e+08,
4.79653550e+08, 6.86152430e+09]))
('NEW_L_MULTIPLIERS', array([ -1805.28270931, -6085.92503468, 529.66006224, 172.67713314,
6293.06832351, -20260.89781225, -41464.34020619, -36677.05546701,
-47831.81166584]))
('L_CONSTRAINTS', array([ -6.62083303e-18, 5.36034213e-18, 1.99997788e-12,
0.00000000e+00, -5.55111512e-17, 0.00000000e+00,
-9.38945770e-07, 6.12669275e-03, -3.10425597e-07]))
('penalty', 10000)
('old_driving_force', -39067.256295441497, 0.0061266927510502667)
('sublsum', 0.52532769756907116)
(1.0, -39076.304593934488, 0.005202087336157013)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39909565e-01 3.60073757e-01 1.66779729e-05], NP=0.24941332862754637), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13283852 0.76131737 0.10584411], NP=0.7557884742782183)])
('step', array([ 3.70218308e-05, -5.75997946e-05, 2.05779638e-05,
1.73289342e-07, -4.38842056e-06, 4.21513121e-06,
-1.50569196e-03, 3.42475416e-03, -1.91906220e-03,
0.00000000e+00, 2.60563081e-04, -3.63063344e-04,
1.02500263e-04, 0.00000000e+00, -1.57520070e-04,
-5.20180291e-03, -7.66120403e-04]))
('conv_angle', 90.339764685131158)
('Site fractions', array([ 9.59864230e-01, 4.01131641e-02, 2.26054210e-05,
2.33041966e-07, 9.99994944e-01, 4.82307662e-06,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32838519e-01, 7.61317369e-01,
1.05844111e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.49413329e-01, 1.00000000e-12, 7.55788474e-01]))
('Chemical potentials', array([-41464.34020619, -36677.05546701, -47831.81166584]))
('Chem pot progress', array([ 12.58390426, -85.70704218, -20.19065573]))
('Energy progress', 34.07773704535066)
('Driving force', -314.19831650697597)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39909565e-01 3.60073757e-01 1.66779729e-05], NP=0.24941332862754637), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.13283852 0.76131737 0.10584411], NP=0.7557884742782183)])
('reduced_hessian eigenvalues', array([ -9.48683364e+04, 5.02342048e+03, 6.76885143e+03,
1.35257201e+04, 9.91520238e+04, 3.39695154e+07,
6.11895251e+07, 1.73446218e+09]))
('reduced_hessian modified eigenvalues', array([ 5.02342048e+03, 6.76885143e+03, 1.35257201e+04,
9.48683364e+04, 9.91520238e+04, 3.39695154e+07,
6.11895251e+07, 1.73446218e+09]))
('NEW_L_MULTIPLIERS', array([ -1803.29369665, -6089.87744475, 485.09527294, 157.88156378,
6299.52105356, -20217.08743046, -41468.73955209, -36716.59786812,
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('L_CONSTRAINTS', array([ -2.84128732e-17, -5.32614317e-17, 1.99997788e-12,
0.00000000e+00, -6.93889390e-17, 0.00000000e+00,
-2.03519573e-07, 5.20208734e-03, -8.09098197e-08]))
('penalty', 10000)
('old_driving_force', -39076.098892356255, 0.005202087336157013)
('sublsum', -1.3611198885157634)
(1.0, -39081.684646483918, 0.0047622374284738145)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.39748051e-01 3.60110519e-01 1.41429710e-04], NP=0.24973996996981718), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1327502 0.76133946 0.10591034], NP=0.7550222723735557)])
('step', array([ -2.42451345e-04, 6.70898534e-05, 1.75361492e-04,
3.61192949e-07, -2.38934198e-05, 2.35322268e-05,
-1.28039208e-03, 2.93235560e-03, -1.65196352e-03,
0.00000000e+00, -8.83217628e-05, 2.20880512e-05,
6.62337116e-05, 0.00000000e+00, 3.26641342e-04,
-4.76224234e-03, -7.66201905e-04]))
('conv_angle', 88.693460597463073)
('Site fractions', array([ 9.59621779e-01, 4.01802540e-02, 1.97966913e-04,
5.94234914e-07, 9.99971050e-01, 2.83553034e-05,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.32750198e-01, 7.61339457e-01,
1.05910345e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.49739970e-01, 1.00000000e-12, 7.55022272e-01]))
('Chemical potentials', array([-41468.73955209, -36716.59786812, -47838.61610863]))
('Chem pot progress', array([ -4.39934589, -39.54240111, -6.80444279]))
('Energy progress', 14.952681804847089)
('Driving force', -287.39110474351764)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.39748051e-01 3.60110519e-01 1.41429710e-04], NP=0.24973996996981718), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1327502 0.76133946 0.10591034], NP=0.7550222723735557)])
('reduced_hessian eigenvalues', array([ -9.48695411e+04, 5.02342720e+03, 6.70259699e+03,
1.35100501e+04, 9.91587915e+04, 3.89005740e+06,
1.04928638e+07, 6.76258298e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02342720e+03, 6.70259699e+03, 1.35100501e+04,
9.48695411e+04, 9.91587915e+04, 3.89005740e+06,
1.04928638e+07, 6.76258298e+08]))
('NEW_L_MULTIPLIERS', array([ -1807.93942862, -6132.92961195, 464.78557303, 151.1713358 ,
6285.68516195, -20153.25427555, -41515.9611766 , -36728.49225756,
-47832.71495693]))
('L_CONSTRAINTS', array([ -3.57515666e-17, 2.92294129e-17, 1.99997788e-12,
0.00000000e+00, 4.16333634e-17, 0.00000000e+00,
1.49152137e-08, 4.76223743e-03, -9.99931475e-09]))
('penalty', 10000)
('old_driving_force', -39081.628001813959, 0.0047622374284738145)
('sublsum', -7.4549368896783905)
(1.0, -39089.490564796884, 0.0045611071345922349)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63869854 0.36038714 0.00091433], NP=0.2517446402235203), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1317863 0.76225016 0.10596354], NP=0.7528179198892401)])
('step', array([ -1.57445716e-03, 4.59606270e-04, 1.11485089e-03,
3.71371525e-07, -8.93652555e-05, 8.89938840e-05,
-1.19552600e-03, 2.74520274e-03, -1.54967674e-03,
0.00000000e+00, -9.63898586e-04, 9.10699427e-04,
5.31991588e-05, 0.00000000e+00, 2.00467025e-03,
-4.56256011e-03, -2.20435248e-03]))
('conv_angle', 81.10571383305691)
('Site fractions', array([ 9.58047322e-01, 4.06398602e-02, 1.31281780e-03,
9.65606440e-07, 9.99881685e-01, 1.17349187e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.31786299e-01, 7.62250157e-01,
1.05963544e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.51744640e-01, 1.00000000e-12, 7.52817920e-01]))
('Chemical potentials', array([-41515.9611766 , -36728.49225756, -47832.71495693]))
('Chem pot progress', array([-47.22162451, -11.89438944, 5.90115171]))
('Energy progress', 1.4524443922855426)
('Driving force', -273.544173495211)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63869854 0.36038714 0.00091433], NP=0.2517446402235203), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.1317863 0.76225016 0.10596354], NP=0.7528179198892401)])
('reduced_hessian eigenvalues', array([ -9.48653811e+04, 5.02333423e+03, 6.51647036e+03,
1.34341152e+04, 9.91275404e+04, 5.96812837e+05,
2.56332501e+06, 4.18094959e+08]))
('reduced_hessian modified eigenvalues', array([ 5.02333423e+03, 6.51647036e+03, 1.34341152e+04,
9.48653811e+04, 9.91275404e+04, 5.96812837e+05,
2.56332501e+06, 4.18094959e+08]))
('NEW_L_MULTIPLIERS', array([ -1830.19556464, -6274.73933514, 453.38759488, 147.50156869,
6227.73250874, -19987.54488959, -41659.4754899 , -36717.24467015,
-47822.37679822]))
('L_CONSTRAINTS', array([ 4.74880552e-17, -4.60514873e-17, 1.99997788e-12,
0.00000000e+00, 4.16333634e-17, 0.00000000e+00,
2.08421193e-08, 4.56110713e-03, 1.43213705e-06]))
('penalty', 10000)
('old_driving_force', -39089.541878062555, 0.0045611071345922349)
('sublsum', -22.391311044655868)
(1.0, -39107.154990016315, 0.0044375557590008441)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63435798 0.36131898 0.00432304], NP=0.25832156744351353), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 0.12882842 0.76541659 0.10575499], NP=0.746131033237039)])
('step', array([ -6.51092229e-03, 1.50209857e-03, 5.00882372e-03,
1.68434250e-07, -2.08670708e-04, 2.08502274e-04,
-1.19978706e-03, 2.74909712e-03, -1.54931006e-03,
0.00000000e+00, -2.95787618e-03, 3.16643329e-03,
-2.08557104e-04, 0.00000000e+00, 6.57692722e-03,
-4.45260068e-03, -6.68688665e-03]))
('conv_angle', 70.56666889206447)
('Site fractions', array([ 9.51536400e-01, 4.21419588e-02, 6.32164152e-03,
1.13404069e-06, 9.99673014e-01, 3.25851462e-04,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.28828423e-01, 7.65416590e-01,
1.05754987e-01, 1.00000000e+00]))
('Phase fractions', array([ 2.58321567e-01, 1.00000000e-12, 7.46131033e-01]))
('Chemical potentials', array([-41659.4754899 , -36717.24467015, -47822.37679822]))
('Chem pot progress', array([-143.5143133 , 11.24758741, 10.3381587 ]))
('Energy progress', -12.856589895061916)
('Driving force', -261.22111443879112)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63435798 0.36131898 0.00432304], NP=0.25832156744351353), CompositionSet(BCC_A2, [ 0.12882842 0.76541659 0.10575499], NP=0.746131033237039)])
('reduced_hessian eigenvalues', array([ 6.10897919e+03, 1.31550347e+04, 1.32894476e+05,
9.46819927e+05, 3.64239440e+08]))
('NEW_L_MULTIPLIERS', array([ -1853.8550146 , -6484.55496994, 6206.32682984, -19331.89508199,
-41811.11915872, -37095.65897693, -47963.72552245]))
('L_CONSTRAINTS', array([ 2.34187669e-17, -2.28224557e-17, 1.38777878e-17,
0.00000000e+00, -8.76855597e-06, 4.43755576e-03,
2.38134785e-05]))
('penalty', 10000)
('old_driving_force', -39105.473719150636, 0.0044375557580008662)
('sublsum', -38.299606869025006)
(1.0, -39173.864174076436, 0.00013488937176928117)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.62300374 0.36295506 0.0140412 ], NP=0.2702767168935405), CompositionSet(BCC_A2, [ 0.12543995 0.76994522 0.10461483], NP=0.7297232831064596)])
('step', array([ -1.70314734e-02, 2.59615491e-03, 1.44353185e-02,
2.31493224e-07, -2.84063997e-04, 2.83832503e-04,
-3.38847538e-03, 4.52862918e-03, -1.14015380e-03,
0.00000000e+00, 1.19551495e-02, -1.64077501e-02]))
('conv_angle', 62.885759194204688)
('Site fractions', array([ 9.34504926e-01, 4.47381137e-02, 2.07569600e-02,
1.36553391e-06, 9.99388951e-01, 6.09683965e-04,
1.25439948e-01, 7.69945219e-01, 1.04614833e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.27027672, 0.72972328]))
('Chemical potentials', array([-41811.11915872, -37095.65897693, -47963.72552245]))
('Chem pot progress', array([-151.64366882, -378.41430678, -141.34872423]))
('Energy progress', 137.91468153135065)
('Driving force', 14.561986322383746)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.62300374 0.36295506 0.0140412 ], NP=0.2702767168935405), CompositionSet(BCC_A2, [ 0.12543995 0.76994522 0.10461483], NP=0.7297232831064596)])
('reduced_hessian eigenvalues', array([ 5.39286774e+03, 1.23837301e+04, 4.86526073e+04,
5.28843922e+05, 3.15982620e+08]))
('NEW_L_MULTIPLIERS', array([ -1935.08381756, -6732.04474845, 6066.02349929, -19016.83037626,
-41917.90704026, -37051.83938501, -48145.28253099]))
('L_CONSTRAINTS', array([ -3.12250226e-17, 2.99239800e-17, -1.38777878e-17,
0.00000000e+00, -8.01443598e-05, -5.47450120e-05,
1.34889372e-04]))
('penalty', 10000)
('old_driving_force', -39173.84584350793, 0.00013488937176928117)
('sublsum', -27.327254528053345)
(1.0, -39188.225245246511, 0.00023973477479052874)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60693944 0.3646452 0.02841536], NP=0.2834109069328379), CompositionSet(BCC_A2, [ 0.12254413 0.7767196 0.10073627], NP=0.7165890930671621)])
('step', array([ -2.40966146e-02, 2.63351550e-03, 2.14630991e-02,
3.26630682e-07, -1.96612144e-04, 1.96285513e-04,
-2.89581900e-03, 6.77438399e-03, -3.87856499e-03,
0.00000000e+00, 1.31341900e-02, -1.31341900e-02]))
('conv_angle', 57.851691702877375)
('Site fractions', array([ 9.10408312e-01, 4.73716292e-02, 4.22200591e-02,
1.69216460e-06, 9.99192338e-01, 8.05969478e-04,
1.22544129e-01, 7.76719603e-01, 1.00736268e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.28341091, 0.71658909]))
('Chemical potentials', array([-41917.90704026, -37051.83938501, -48145.28253099]))
('Chem pot progress', array([-106.78788154, 43.81959192, -181.55700853]))
('Energy progress', -17.187772061071882)
('Driving force', 11.472486309867236)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60693944 0.3646452 0.02841536], NP=0.2834109069328379), CompositionSet(BCC_A2, [ 0.12254413 0.7767196 0.10073627], NP=0.7165890930671621)])
('reduced_hessian eigenvalues', array([ 4.86626241e+03, 1.15357458e+04, 3.06341830e+04,
4.18856092e+05, 2.66967423e+08]))
('NEW_L_MULTIPLIERS', array([ -1979.06853239, -6796.28213724, 6021.34598569, -18912.91699276,
-41872.16480549, -37038.23648544, -48311.9052706 ]))
('L_CONSTRAINTS', array([ 1.38777878e-17, -6.52689708e-17, 6.93889390e-17,
0.00000000e+00, -1.72957343e-04, -6.67774318e-05,
2.39734775e-04]))
('penalty', 10000)
('old_driving_force', -39188.176480159469, 0.00023973477479052874)
('sublsum', -3.8549305362446726)
(1.0, -39194.203382422573, 3.9812448265730271e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59947614 0.36505481 0.03546906], NP=0.28748730634852127), CompositionSet(BCC_A2, [ 0.12298169 0.77899492 0.09802339], NP=0.7125126936514787)])
('step', array([ -1.11950747e-02, 6.41435833e-04, 1.05536389e-02,
2.48326880e-07, -5.40497948e-05, 5.38014679e-05,
4.37558026e-04, 2.27532087e-03, -2.71287890e-03,
0.00000000e+00, 4.07639942e-03, -4.07639942e-03]))
('conv_angle', 52.633089648447367)
('Site fractions', array([ 8.99213237e-01, 4.80130650e-02, 5.27736979e-02,
1.94049148e-06, 9.99138289e-01, 8.59770946e-04,
1.22981687e-01, 7.78994924e-01, 9.80233894e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.28748731, 0.71251269]))
('Chemical potentials', array([-41872.16480549, -37038.23648544, -48311.9052706 ]))
('Chem pot progress', array([ 45.74223477, 13.60289957, -166.62273961]))
('Energy progress', -0.45497444599459413)
('Driving force', 1.9517200790942297)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59947614 0.36505481 0.03546906], NP=0.28748730634852127), CompositionSet(BCC_A2, [ 0.12298169 0.77899492 0.09802339], NP=0.7125126936514787)])
('reduced_hessian eigenvalues', array([ 4.71701555e+03, 1.10515321e+04, 2.73345546e+04,
3.98094702e+05, 2.36030711e+08]))
('NEW_L_MULTIPLIERS', array([ -1983.68368484, -6796.77924258, 6019.44078186, -18909.02592162,
-41858.87822509, -37037.81428853, -48334.52075636]))
('L_CONSTRAINTS', array([ 3.46944695e-17, 6.22332047e-17, 4.16333634e-17,
0.00000000e+00, -3.22070545e-05, -7.60539375e-06,
3.98124483e-05]))
('penalty', 10000)
('old_driving_force', -39194.202050912121, 3.9812448265730271e-05)
('sublsum', -0.029450419135847263)
(1.0, -39195.01065340815, 1.2136320329259043e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59887161 0.36503422 0.03609417], NP=0.2876189870915046), CompositionSet(BCC_A2, [ 0.12318274 0.7790904 0.09772685], NP=0.7123810129084956)])
('step', array([ -9.06810551e-04, -2.95936798e-05, 9.36404231e-04,
4.21071374e-08, -2.56413887e-06, 2.52203173e-06,
2.01056850e-04, 9.54803013e-05, -2.96537151e-04,
0.00000000e+00, 1.31680743e-04, -1.31680743e-04]))
('conv_angle', 45.440265528793212)
('Site fractions', array([ 8.98306426e-01, 4.79834714e-02, 5.37101022e-02,
1.98259861e-06, 9.99135724e-01, 8.62292978e-04,
1.23182743e-01, 7.79090404e-01, 9.77268522e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.28761899, 0.71238101]))
('Chemical potentials', array([-41858.87822509, -37037.81428853, -48334.52075636]))
('Chem pot progress', array([ 13.2865804 , 0.42219691, -22.61548577]))
('Energy progress', 0.2788368909677956)
('Driving force', 0.014348789671203122)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59887161 0.36503422 0.03609417], NP=0.2876189870915046), CompositionSet(BCC_A2, [ 0.12318274 0.7790904 0.09772685], NP=0.7123810129084956)])
('reduced_hessian eigenvalues', array([ 4.70671648e+03, 1.09993286e+04, 2.71129747e+04,
3.97102925e+05, 2.31120104e+08]))
('NEW_L_MULTIPLIERS', array([ -1983.71023098, -6796.74500999, 6019.44517578, -18909.03715067,
-41858.76111518, -37037.81843088, -48334.68784234]))
('L_CONSTRAINTS', array([ 4.85722573e-17, -9.76866157e-17, -8.32667268e-17,
0.00000000e+00, -1.06079792e-07, -1.52834113e-08,
1.21363203e-07]))
('penalty', 10000)
('old_driving_force', -39195.010653375517, 1.2136320329259043e-07)
('sublsum', -1.1661306505327932e-06)
(1.0, -39195.013081129917, 4.6376374962520117e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59886832 0.3650338 0.03609788], NP=0.2876181374080595), CompositionSet(BCC_A2, [ 0.12318479 0.7790901 0.09772511], NP=0.7123818625919405)])
('step', array([ -4.93764307e-06, -6.31449905e-07, 5.56909297e-06,
6.12734025e-10, -5.91351777e-09, 5.30078385e-09,
2.04522474e-06, -3.01648041e-07, -1.74357669e-06,
0.00000000e+00, -8.49683445e-07, 8.49683445e-07]))
('conv_angle', 59.290138241775843)
('Site fractions', array([ 8.98301489e-01, 4.79828399e-02, 5.37156713e-02,
1.98321135e-06, 9.99135719e-01, 8.62298279e-04,
1.23184789e-01, 7.79090103e-01, 9.77251086e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.28761814, 0.71238186]))
('Chemical potentials', array([-41858.76111518, -37037.81843088, -48334.68784234]))
('Chem pot progress', array([ 0.11710991, -0.00414235, -0.16708598]))
('Energy progress', 0.0008590671059209853)
('Driving force', 4.9285154091194272e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59886832 0.3650338 0.03609788], NP=0.2876181374080595), CompositionSet(BCC_A2, [ 0.12318479 0.7790901 0.09772511], NP=0.7123818625919405)])
('reduced_hessian eigenvalues', array([ 4.70736171e+03, 1.09996560e+04, 2.71116429e+04,
3.97100203e+05, 2.31048060e+08]))
('NEW_L_MULTIPLIERS', array([ -1983.71023396, -6796.74503399, 6019.44515231, -18909.03712732,
-41858.76111013, -37037.81843389, -48334.68782776]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 4.70543743e-17, 5.55111512e-17,
0.00000000e+00, 4.53453941e-12, 1.03028697e-13,
-4.63763750e-12]))
('penalty', 10000)
('old_driving_force', -39195.013081129917, 4.6376374962520117e-12)
('sublsum', -2.0478932331287102e-14)
(1.0, -39195.013081222678, 4.8572257327350599e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59886832 0.3650338 0.03609788], NP=0.28761813837069905), CompositionSet(BCC_A2, [ 0.12318479 0.7790901 0.09772511], NP=0.7123818616293011)])
('step', array([ -9.20952930e-10, 2.26561163e-10, 6.94391794e-10,
9.76005938e-14, 1.22384922e-11, -1.23361399e-11,
-4.01283597e-10, 4.96739817e-10, -9.54562754e-11,
0.00000000e+00, 9.62639500e-10, -9.62639392e-10]))
('conv_angle', 78.722844131956521)
('Site fractions', array([ 8.98301488e-01, 4.79828401e-02, 5.37156719e-02,
1.98321145e-06, 9.99135719e-01, 8.62298266e-04,
1.23184788e-01, 7.79090103e-01, 9.77251085e-02,
1.00000000e+00]))
('Phase fractions', array([ 0.28761814, 0.71238186]))
('Chemical potentials', array([-41858.76111013, -37037.81843389, -48334.68782776]))
('Chem pot progress', array([ 5.04537456e-06, -3.00917600e-06, 1.45889717e-05]))
('Energy progress', -3.053719410672784e-08)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.12318479 0.7790901 0.09772511], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.12318478 0.77909012 0.09772511], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.12318479 0.7790901 0.09772511], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.12318479 0.7790901 0.09772511], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12318479 0.7790901 0.09772511], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12318479 0.7790901 0.09772511], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.12318469 0.7790902 0.09772511], NP=1.0), -2.837623469531536e-10)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.59886834 0.36503378 0.03609788], NP=1.0), -7.275957614183426e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.23191615305953067), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.7680838469404693)])
('reduced_hessian eigenvalues', array([ 4.07128738e+03, 7.10928181e+03, 1.28535369e+14,
3.85442547e+14, 5.01629683e+14]))
('NEW_L_MULTIPLIERS', array([ -2227.39671493, -6712.32981644, 7105.09125802, -18247.9311511 ,
-41180.32236552, -38781.87993032, -41263.01947993]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -3.85606059e-02, 1.38260222e-01,
-9.96996165e-02]))
('penalty', 10000)
('old_driving_force', -36893.645524163541, 0.13826022234861024)
('sublsum', -870.16248415555754)
(1.0, -40032.911409310203, 0.0082783885302750715)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59328687 0.33333333 0.0733798 ], NP=0.2864424158675172), CompositionSet(BCC_A2, [ 0.18083785 0.57850634 0.24065581], NP=0.7135575841324829)])
('step', array([ 1.04140865e-03, 4.31259195e-11, -1.04140870e-03,
2.74860005e-11, -6.58890286e-11, 3.84032441e-11,
1.93872472e-02, -1.51823875e-01, 1.32436628e-01,
0.00000000e+00, 5.45262628e-02, -5.45262628e-02]))
('conv_angle', 82.40359711834347)
('Site fractions', array([ 8.89930298e-01, 4.41259195e-11, 1.10069702e-01,
2.84860005e-11, 1.00000000e+00, 3.94032441e-11,
1.80837850e-01, 5.78506336e-01, 2.40655815e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.28644242, 0.71355758]))
('Chemical potentials', array([-41180.32236552, -38781.87993032, -41263.01947993]))
('Chem pot progress', array([ 212.21620452, -1184.29199485, 3605.31219944]))
('Energy progress', 12.198242199388915)
('Driving force', -200.83860911222291)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59328687 0.33333333 0.0733798 ], NP=0.2864424158675172), CompositionSet(BCC_A2, [ 0.18083785 0.57850634 0.24065581], NP=0.7135575841324829)])
('reduced_hessian eigenvalues', array([ 3.13775134e+03, 8.53275475e+03, 6.60634436e+12,
1.96688884e+13, 2.09349622e+13]))
('NEW_L_MULTIPLIERS', array([ -2300.85185634, -7020.61000272, 6667.40661021, -18223.26718528,
-41069.9329538 , -38377.7533801 , -43784.15149232]))
('L_CONSTRAINTS', array([ 1.38777878e-17, -1.43074749e-17, 0.00000000e+00,
0.00000000e+00, -1.01925805e-03, 8.27838853e-03,
-7.25913048e-03]))
('penalty', 10000)
('old_driving_force', -40054.445636835932, 0.0082783885302750715)
('sublsum', -22.575778978686394)
(1.0, -40224.570538125881, 0.00035585693892592474)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61273265 0.33333333 0.05393402], NP=0.2954434540500977), CompositionSet(BCC_A2, [ 0.16925741 0.56999745 0.26074513], NP=0.7045565459499024)])
('step', array([ 2.91686720e-02, 9.27411907e-10, -2.91686730e-02,
3.45224046e-10, -1.05483493e-09, 7.09610893e-10,
-1.15804360e-02, -8.50888168e-03, 2.00893176e-02,
0.00000000e+00, 9.00103818e-03, -9.00103818e-03]))
('conv_angle', 89.180022405774267)
('Site fractions', array([ 9.19098970e-01, 9.71537827e-10, 8.09010295e-02,
3.73710047e-10, 9.99999999e-01, 7.49014137e-10,
1.69257414e-01, 5.69997454e-01, 2.60745133e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.29544345, 0.70455655]))
('Chemical potentials', array([-41069.9329538 , -38377.7533801 , -43784.15149232]))
('Chem pot progress', array([ 110.38941172, 404.12655022, -2521.1320124 ]))
('Energy progress', -52.491980251950736)
('Driving force', 34.99919775192393)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61273265 0.33333333 0.05393402], NP=0.2954434540500977), CompositionSet(BCC_A2, [ 0.16925741 0.56999745 0.26074513], NP=0.7045565459499024)])
('reduced_hessian eigenvalues', array([ 3.96068018e+03, 1.02920416e+04, 3.95655125e+11,
9.16184861e+11, 1.48636083e+12]))
('NEW_L_MULTIPLIERS', array([ -2362.10987159, -7260.75622003, 6508.04377436, -17987.63645984,
-41186.48001597, -38270.58182131, -43703.80820823]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 6.37550816e-17, 1.11022302e-16,
0.00000000e+00, 2.79268168e-04, 7.65887713e-05,
-3.55856939e-04]))
('penalty', 10000)
('old_driving_force', -40224.517607664246, 0.00035585693892592474)
('sublsum', -1.3543904696804414)
(1.0, -40231.638164026306, 3.3414842575574255e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60909443 0.33333334 0.05757223], NP=0.3055804075365635), CompositionSet(BCC_A2, [ 0.16400607 0.5732938 0.26270013], NP=0.6944195924634365)])
('step', array([ -5.45732879e-03, 1.74095700e-08, 5.45731138e-03,
3.55558639e-09, -1.48092435e-08, 1.12536570e-08,
-5.25134328e-03, 3.29634641e-03, 1.95499687e-03,
0.00000000e+00, 1.01369535e-02, -1.01369535e-02]))
('conv_angle', 89.838552546779155)
('Site fractions', array([ 9.13641641e-01, 1.83811078e-08, 8.63583408e-02,
3.92929644e-09, 9.99999984e-01, 1.20026712e-08,
1.64006070e-01, 5.73293800e-01, 2.62700129e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.30558041, 0.69441959]))
('Chemical potentials', array([-41186.48001597, -38270.58182131, -43703.80820823]))
('Chem pot progress', array([-116.54706217, 107.17155879, 80.34328409]))
('Energy progress', -1.9312348108287551)
('Driving force', -0.30990378436399624)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60909443 0.33333334 0.05757223], NP=0.3055804075365635), CompositionSet(BCC_A2, [ 0.16400607 0.5732938 0.26270013], NP=0.6944195924634365)])
('reduced_hessian eigenvalues', array([ 4.06383431e+03, 1.01945567e+04, 2.72479052e+10,
4.98038199e+10, 1.36518288e+11]))
('NEW_L_MULTIPLIERS', array([ -2360.28080191, -7256.47609033, 6510.19708702, -17990.78228873,
-41186.15322442, -38270.26619471, -43706.67271714]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -3.60457286e-17, -5.55111512e-17,
0.00000000e+00, 1.63521758e-05, -3.34148426e-05,
1.70626668e-05]))
('penalty', 10000)
('old_driving_force', -40231.638109947286, 3.3414842575574255e-05)
('sublsum', -0.0073719848710920178)
(1.0, -40232.312220542117, 2.0023465829854814e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60907329 0.33333346 0.05759325], NP=0.3054089529772558), CompositionSet(BCC_A2, [ 0.16410172 0.57328262 0.26261566], NP=0.6945910470227443)])
('step', array([ -3.17206359e-05, 2.64286952e-07, 3.14563490e-05,
2.68899295e-08, -1.67873992e-07, 1.40984063e-07,
9.56477190e-05, -1.11808673e-05, -8.44668517e-05,
0.00000000e+00, -1.71454559e-04, 1.71454559e-04]))
('conv_angle', 89.93540313703754)
('Site fractions', array([ 9.13609920e-01, 2.82668060e-07, 8.63897972e-02,
3.08192259e-08, 9.99999816e-01, 1.52986734e-07,
1.64101718e-01, 5.73282619e-01, 2.62615663e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.30540895, 0.69459105]))
('Chemical potentials', array([-41186.15322442, -38270.26619471, -43706.67271714]))
('Chem pot progress', array([ 0.32679155, 0.3156266 , -2.86450891]))
('Energy progress', 0.13426641338446643)
('Driving force', 0.00098710080055752769)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60907329 0.33333346 0.05759325], NP=0.3054089529772558), CompositionSet(BCC_A2, [ 0.16410172 0.57328262 0.26261566], NP=0.6945910470227443)])
('reduced_hessian eigenvalues', array([ 4.06074372e+03, 1.01822230e+04, 2.22748829e+09,
3.24112214e+09, 1.66658858e+10]))
('NEW_L_MULTIPLIERS', array([ -2360.35647606, -7256.94444841, 6509.98574472, -17990.27923738,
-41186.54783837, -38270.21545829, -43706.53690881]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 8.33113814e-17, 1.11022302e-16,
0.00000000e+00, 2.00234658e-08, -1.93762517e-09,
-1.80858406e-08]))
('penalty', 10000)
('old_driving_force', -40232.312220531654, 2.0023465829854814e-08)
('sublsum', -0.066841360104759814)
(1.0, -40232.369151730745, 1.035758145917498e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60906643 0.33333514 0.05759843], NP=0.3054301082484688), CompositionSet(BCC_A2, [ 0.16409115 0.57328919 0.26261966], NP=0.6945698917515314)])
('step', array([ -1.03607032e-05, 3.29427054e-06, 7.06643262e-06,
1.47561471e-07, -1.55628561e-06, 1.40872414e-06,
-1.05659855e-05, 6.57340539e-06, 3.99258014e-06,
0.00000000e+00, 2.11552712e-05, -2.11552712e-05]))
('conv_angle', 84.217596099489612)
('Site fractions', array([ 9.13599559e-01, 3.57693860e-06, 8.63968636e-02,
1.78380697e-07, 9.99998260e-01, 1.56171087e-06,
1.64091152e-01, 5.73289193e-01, 2.62619655e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.30543011, 0.69456989]))
('Chemical potentials', array([-41186.54783837, -38270.21545829, -43706.53690881]))
('Chem pot progress', array([-0.39461395, 0.05073642, 0.13580834]))
('Energy progress', -0.056573092049802653)
('Driving force', 0.010308617092960048)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60906643 0.33333514 0.05759843], NP=0.3054301082484688), CompositionSet(BCC_A2, [ 0.16409115 0.57328919 0.26261966], NP=0.6945698917515314)])
('reduced_hessian eigenvalues', array([ 4.05890437e+03, 1.01830195e+04, 2.22755258e+08,
2.57638895e+08, 2.80459269e+09]))
('NEW_L_MULTIPLIERS', array([ -2360.94297487, -7260.46887557, 6508.38231162, -17986.44166307,
-41189.45379389, -38269.84524423, -43705.52937065]))
('L_CONSTRAINTS', array([ 1.38777878e-17, -1.43697869e-16, -5.55111512e-17,
0.00000000e+00, 7.84445842e-11, -1.03575815e-10,
2.51313970e-11]))
('penalty', 10000)
('old_driving_force', -40232.369151730505, 1.035758145917498e-10)
('sublsum', -0.49547517873127817)
(1.0, -40232.777818888673, 4.7786885004619251e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6090098 0.33335312 0.05763707], NP=0.3055910173755772), CompositionSet(BCC_A2, [ 0.16401297 0.57333687 0.26265016], NP=0.6944089826244227)])
('step', array([ -8.52128565e-05, 3.26248582e-05, 5.25879983e-05,
5.41144701e-07, -1.12991424e-05, 1.07579977e-05,
-7.81846564e-05, 4.76815819e-05, 3.05030745e-05,
0.00000000e+00, 1.60909127e-04, -1.60909127e-04]))
('conv_angle', 82.742080147691979)
('Site fractions', array([ 9.13514347e-01, 3.62017968e-05, 8.64494516e-02,
7.19525399e-07, 9.99986961e-01, 1.23197085e-05,
1.64012967e-01, 5.73336874e-01, 2.62650158e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.30559102, 0.69440898]))
('Chemical potentials', array([-41189.45379389, -38269.84524423, -43705.52937065]))
('Chem pot progress', array([-2.90595552, 0.37021406, 1.00753815]))
('Energy progress', -0.4087775428779423)
('Driving force', 0.086719950282713398)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6090098 0.33335312 0.05763707], NP=0.3055910173755772), CompositionSet(BCC_A2, [ 0.16401297 0.57333687 0.26265016], NP=0.6944089826244227)])
('reduced_hessian eigenvalues', array([ 4.04732036e+03, 1.01846365e+04, 2.50120207e+07,
2.92139236e+07, 6.84939299e+08]))
('NEW_L_MULTIPLIERS', array([ -2364.25428929, -7279.8291277 , 6499.45302505, -17964.89175004,
-41205.07480835, -38267.90319575, -43700.01457005]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 9.02869359e-17, 5.55111512e-17,
0.00000000e+00, 3.46863227e-09, -4.77868850e-09,
1.31005617e-09]))
('penalty', 10000)
('old_driving_force', -40232.777818832437, 4.7786885004619251e-09)
('sublsum', -2.69878417532962)
(1.0, -40234.931396040258, 9.2779842197909801e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60865088 0.33349759 0.05785153], NP=0.30649121496119885), CompositionSet(BCC_A2, [ 0.16359404 0.57358441 0.26282155], NP=0.6935087850388012)])
('step', array([ -5.38981711e-04, 2.47093371e-04, 2.91888340e-04,
1.18244279e-06, -6.07840689e-05, 5.96016261e-05,
-4.18922694e-04, 2.47533644e-04, 1.71389050e-04,
0.00000000e+00, 9.00197586e-04, -9.00197586e-04]))
('conv_angle', 80.51552644046626)
('Site fractions', array([ 9.12975365e-01, 2.83295167e-04, 8.67413400e-02,
1.90196819e-06, 9.99926177e-01, 7.19213346e-05,
1.63594045e-01, 5.73584408e-01, 2.62821547e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.30649121, 0.69350879]))
('Chemical potentials', array([-41205.07480835, -38267.90319575, -43700.01457005]))
('Chem pot progress', array([-15.62101446, 1.94204848, 5.5148006 ]))
('Energy progress', -2.155689170322148)
('Driving force', 0.5437027502048295)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60865088 0.33349759 0.05785153], NP=0.30649121496119885), CompositionSet(BCC_A2, [ 0.16359404 0.57358441 0.26282155], NP=0.6935087850388012)])
('reduced_hessian eigenvalues', array([ 4.00676792e+03, 1.01963178e+04, 3.22177484e+06,
5.03160273e+06, 2.57669900e+08]))
('NEW_L_MULTIPLIERS', array([ -2377.20295042, -7352.92905605, 6464.93090646, -17880.42452056,
-41262.08233566, -38261.11697502, -43679.35538894]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -1.42301535e-17, 0.00000000e+00,
0.00000000e+00, 5.40079854e-08, -9.27798422e-08,
3.87718568e-08]))
('penalty', 10000)
('old_driving_force', -40234.931393132771, 9.2779842197909801e-08)
('sublsum', -10.114754230541811)
(1.0, -40242.663223523807, 5.4732780618849119e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60698901 0.33433252 0.05867847], NP=0.3099977197726237), CompositionSet(BCC_A2, [ 0.16207813 0.57442947 0.2634924 ], NP=0.6900022802273763)])
('step', array([ -2.49344469e-03, 1.36501461e-03, 1.12843008e-03,
1.29158379e-06, -2.25247988e-04, 2.23956405e-04,
-1.51591537e-03, 8.45065794e-04, 6.70849574e-04,
0.00000000e+00, 3.50650481e-03, -3.50650481e-03]))
('conv_angle', 77.066523254491599)
('Site fractions', array([ 9.10481920e-01, 1.64830978e-03, 8.78697700e-02,
3.19355198e-06, 9.99700929e-01, 2.95877739e-04,
1.62078129e-01, 5.74429474e-01, 2.63492397e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.30999772, 0.69000228]))
('Chemical potentials', array([-41262.08233566, -38261.11697502, -43679.35538894]))
('Chem pot progress', array([-57.00752731, 6.78622072, 20.65918111]))
('Energy progress', -7.741978928519529)
('Driving force', 2.3800959182262886)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60698901 0.33433252 0.05867847], NP=0.3099977197726237), CompositionSet(BCC_A2, [ 0.16207813 0.57442947 0.2634924 ], NP=0.6900022802273763)])
('reduced_hessian eigenvalues', array([ 3.90879926e+03, 1.02297790e+04, 5.59656272e+05,
1.23970261e+06, 1.54524459e+08]))
('NEW_L_MULTIPLIERS', array([ -2409.28165377, -7525.59453707, 6379.51979985, -17666.2894752 ,
-41388.40797389, -38247.53318648, -43631.46068904]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 1.96240593e-17, -1.11022302e-16,
0.00000000e+00, -5.11776345e-07, -3.55514612e-08,
5.47327806e-07]))
('penalty', 10000)
('old_driving_force', -40242.663313905454, 5.4732780618849119e-07)
('sublsum', -23.837764837703496)
(1.0, -40259.530890453047, 1.7940578330599699e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60166969 0.33759822 0.06073209], NP=0.31879039249954993), CompositionSet(BCC_A2, [ 0.1587992 0.57602189 0.26517891], NP=0.6812096075004501)])
('step', array([ -7.97926335e-03, 5.16148297e-03, 2.81778038e-03,
5.50650700e-07, -5.25854154e-04, 5.25303504e-04,
-3.27892434e-03, 1.59241322e-03, 1.68651112e-03,
0.00000000e+00, 8.79267273e-03, -8.79267273e-03]))
('conv_angle', 71.67473206672129)
('Site fractions', array([ 9.02502657e-01, 6.80979275e-03, 9.06875504e-02,
3.74420268e-06, 9.99175075e-01, 8.21181243e-04,
1.58799205e-01, 5.76021887e-01, 2.65178908e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.31879039, 0.68120961]))
('Chemical potentials', array([-41388.40797389, -38247.53318648, -43631.46068904]))
('Chem pot progress', array([-126.32563823, 13.58378854, 47.89469991]))
('Energy progress', -17.175131775919)
('Driving force', 6.6914211952680489)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60166969 0.33759822 0.06073209], NP=0.31879039249954993), CompositionSet(BCC_A2, [ 0.1587992 0.57602189 0.26517891], NP=0.6812096075004501)])
('reduced_hessian eigenvalues', array([ 3.75254631e+03, 1.02614621e+04, 1.39262253e+05,
4.59082557e+05, 1.35163692e+08]))
('NEW_L_MULTIPLIERS', array([ -2454.89270011, -7746.64304773, 6258.62804881, -17348.42469267,
-41523.16868743, -38237.6679157 , -43573.14314377]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 5.85469173e-18, 5.55111512e-17,
0.00000000e+00, -1.79405783e-05, 1.47126976e-05,
3.22788072e-06]))
('penalty', 10000)
('old_driving_force', -40259.533641525013, 1.7940578330599699e-05)
('sublsum', -30.239641339316428)
(1.0, -40278.099372373545, 9.456735337426414e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59098752 0.34536269 0.06364979], NP=0.33156035707101233), CompositionSet(BCC_A2, [ 0.15552249 0.57683619 0.26764132], NP=0.6684396429289877)])
('step', array([ -1.60233178e-02, 1.20020177e-02, 4.02130008e-03,
1.42180623e-07, -7.10639775e-04, 7.10497595e-04,
-3.27671298e-03, 8.14304669e-04, 2.46240831e-03,
0.00000000e+00, 1.27699646e-02, -1.27699646e-02]))
('conv_angle', 64.490310082995521)
('Site fractions', array([ 8.86479339e-01, 1.88118105e-02, 9.47088505e-02,
3.88638330e-06, 9.98464435e-01, 1.53167884e-03,
1.55522492e-01, 5.76836192e-01, 2.67641316e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.33156036, 0.66843964]))
('Chemical potentials', array([-41523.16868743, -38237.6679157 , -43573.14314377]))
('Chem pot progress', array([-134.76071354, 9.86527078, 58.31754526]))
('Energy progress', -19.860307458628085)
('Driving force', 10.422473389684455)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59098752 0.34536269 0.06364979], NP=0.33156035707101233), CompositionSet(BCC_A2, [ 0.15552249 0.57683619 0.26764132], NP=0.6684396429289877)])
('reduced_hessian eigenvalues', array([ 3.55897856e+03, 1.01247309e+04, 5.30835887e+04,
2.55423004e+05, 1.35108215e+08]))
('NEW_L_MULTIPLIERS', array([ -2490.19301204, -7869.85478929, 6174.8948441 , -17107.61254001,
-41547.87340257, -38244.59416195, -43544.97191082]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 7.89299182e-17, 5.55111512e-17,
0.00000000e+00, -9.45673534e-05, 8.87533042e-05,
5.81404918e-06]))
('penalty', 10000)
('old_driving_force', -40278.101257694769, 9.456735337426414e-05)
('sublsum', -15.357893008461049)
(1.0, -40287.0764919828, 0.00010153086741304662)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57973919 0.35467713 0.06558368], NP=0.34087322789777436), CompositionSet(BCC_A2, [ 0.15517637 0.5753082 0.26951543], NP=0.6591267721022258)])
('step', array([ -1.68725549e-02, 1.42449543e-02, 2.62760059e-03,
1.16445236e-07, -5.46582164e-04, 5.46465719e-04,
-3.46121791e-04, -1.52799168e-03, 1.87411347e-03,
0.00000000e+00, 9.31287083e-03, -9.31287083e-03]))
('conv_angle', 57.78296298132306)
('Site fractions', array([ 8.69606784e-01, 3.30567648e-02, 9.73364511e-02,
4.00282854e-06, 9.97917853e-01, 2.07814456e-03,
1.55176370e-01, 5.75308200e-01, 2.69515430e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.34087323, 0.65912677]))
('Chemical potentials', array([-41547.87340257, -38244.59416195, -43544.97191082]))
('Chem pot progress', array([-24.70471515, -6.92624625, 28.17123295]))
('Energy progress', -9.063636102509918)
('Driving force', 6.5463745818124153)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57973919 0.35467713 0.06558368], NP=0.34087322789777436), CompositionSet(BCC_A2, [ 0.15517637 0.5753082 0.26951543], NP=0.6591267721022258)])
('reduced_hessian eigenvalues', array([ 3.38957156e+03, 9.71253199e+03, 3.20825311e+04,
1.93188175e+05, 1.34626174e+08]))
('NEW_L_MULTIPLIERS', array([ -2502.71190714, -7887.9520721 , 6153.63414744, -17036.61662156,
-41518.8207587 , -38253.34785242, -43543.14757845]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -3.25260652e-17, 0.00000000e+00,
0.00000000e+00, -1.01530867e-04, 1.00974186e-04,
5.56681454e-07]))
('penalty', 10000)
('old_driving_force', -40287.072659361467, 0.00010153086741304662)
('sublsum', -1.8000742891658832)
(1.0, -40289.7633450512, 1.4672341753119156e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57514262 0.35887286 0.06598452], NP=0.34347036129959363), CompositionSet(BCC_A2, [ 0.15603468 0.57385449 0.27011083], NP=0.6565296387004064)])
('step', array([ -6.89488027e-03, 6.39991120e-03, 4.94969071e-04,
4.92531347e-08, -2.12634292e-04, 2.12585038e-04,
8.58305884e-04, -1.45370771e-03, 5.95401829e-04,
0.00000000e+00, 2.59713340e-03, -2.59713340e-03]))
('conv_angle', 52.124682697147371)
('Site fractions', array([ 8.62711904e-01, 3.94566760e-02, 9.78314202e-02,
4.05208167e-06, 9.97705218e-01, 2.29072960e-03,
1.56034676e-01, 5.73854492e-01, 2.70110832e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.34347036, 0.65652964]))
('Chemical potentials', array([-41518.8207587 , -38253.34785242, -43543.14757845]))
('Chem pot progress', array([ 29.05264388, -8.75369047, 1.82433238]))
('Energy progress', -1.2331817124650115)
('Driving force', 0.89287762434105389)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57514262 0.35887286 0.06598452], NP=0.34347036129959363), CompositionSet(BCC_A2, [ 0.15603468 0.57385449 0.27011083], NP=0.6565296387004064)])
('reduced_hessian eigenvalues', array([ 3.32304523e+03, 9.43296060e+03, 2.76775435e+04,
1.76500820e+05, 1.33928729e+08]))
('NEW_L_MULTIPLIERS', array([ -2503.77841822, -7887.46156157, 6152.55831535, -17031.91253298,
-41513.49130781, -38254.58093009, -43543.67828376]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 7.06899816e-17, 1.11022302e-16,
0.00000000e+00, -1.41670415e-05, 1.46723418e-05,
-5.05300271e-07]))
('penalty', 10000)
('old_driving_force', -40289.763251724675, 1.4672341753119156e-05)
('sublsum', -0.01648897032026133)
(1.0, -40290.063002109855, 9.9356442850861981e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57469913 0.35930473 0.06599614], NP=0.3436284756383334), CompositionSet(BCC_A2, [ 0.15618734 0.57365798 0.27015468], NP=0.6563715243616667)])
('step', array([ -6.65235872e-04, 6.59166056e-04, 6.06981626e-06,
4.61221561e-09, -2.27169070e-05, 2.27122948e-05,
1.52659381e-04, -1.96511773e-04, 4.38523921e-05,
0.00000000e+00, 1.58114339e-04, -1.58114339e-04]))
('conv_angle', 48.749939545010982)
('Site fractions', array([ 8.62046668e-01, 4.01158421e-02, 9.78374900e-02,
4.05669389e-06, 9.97682501e-01, 2.31344189e-03,
1.56187335e-01, 5.73657981e-01, 2.70154684e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.34362848, 0.65637152]))
('Chemical potentials', array([-41513.49130781, -38254.58093009, -43543.67828376]))
('Chem pot progress', array([ 5.32945089, -1.23307767, -0.53070532]))
('Energy progress', -0.056798238547344226)
('Driving force', 0.0085249040421331301)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57469913 0.35930473 0.06599614], NP=0.3436284756383334), CompositionSet(BCC_A2, [ 0.15618734 0.57365798 0.27015468], NP=0.6563715243616667)])
('reduced_hessian eigenvalues', array([ 3.31658816e+03, 9.40058861e+03, 2.73076458e+04,
1.74841949e+05, 1.33832532e+08]))
('NEW_L_MULTIPLIERS', array([ -2503.78457741, -7887.44351586, 6152.55554824, -17031.88803674,
-41513.43854541, -38254.59196253, -43543.68722788]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 2.99239800e-17, 0.00000000e+00,
0.00000000e+00, -9.42596141e-08, 9.93564429e-08,
-5.09682885e-09]))
('penalty', 10000)
('old_driving_force', -40290.063002103831, 9.9356442850861981e-08)
('sublsum', -1.2157762811908959e-06)
(1.0, -40290.064989756822, 4.1894265834230282e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57469548 0.35930842 0.0659961 ], NP=0.3436292340722663), CompositionSet(BCC_A2, [ 0.15618891 0.57365615 0.27015495], NP=0.6563707659277338)])
('step', array([ -5.47829403e-06, 5.64100160e-06, -1.62707570e-07,
3.27713551e-11, -2.15437686e-07, 2.15404915e-07,
1.57203783e-06, -1.83490492e-06, 2.62867098e-07,
0.00000000e+00, 7.58433933e-07, -7.58433933e-07]))
('conv_angle', 48.486523341516978)
('Site fractions', array([ 8.62041190e-01, 4.01214831e-02, 9.78373273e-02,
4.05672666e-06, 9.97682286e-01, 2.31365730e-03,
1.56188907e-01, 5.73656146e-01, 2.70154947e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.34362923, 0.65637077]))
('Chemical potentials', array([-41513.43854541, -38254.59196253, -43543.68722788]))
('Chem pot progress', array([ 0.0527624 , -0.01103243, -0.00894412]))
('Energy progress', -0.0003347290403326042)
('Driving force', 6.2175968196243048e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57469548 0.35930842 0.0659961 ], NP=0.3436292340722663), CompositionSet(BCC_A2, [ 0.15618891 0.57365615 0.27015495], NP=0.6563707659277338)])
('reduced_hessian eigenvalues', array([ 3.31656347e+03, 9.39991509e+03, 2.73039258e+04,
1.74827377e+05, 1.33831716e+08]))
('NEW_L_MULTIPLIERS', array([ -2503.78457847, -7887.44350323, 6152.55555295, -17031.88805828,
-41513.43854181, -38254.59196263, -43543.68722991]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 2.47198095e-17, -5.55111512e-17,
0.00000000e+00, -3.96227495e-12, 4.18942658e-12,
-2.27179386e-13]))
('penalty', 10000)
('old_driving_force', -40290.064989756822, 4.1894265834230282e-12)
('sublsum', -7.9733200537587423e-15)
(1.0, -40290.064989840626, 8.2833045977892539e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57469548 0.35930842 0.0659961 ], NP=0.34362923379651555), CompositionSet(BCC_A2, [ 0.15618891 0.57365615 0.27015495], NP=0.6563707662034846)])
('step', array([ 1.06180931e-10, 3.01516299e-10, -4.07697286e-10,
1.37968172e-14, -4.50321474e-11, 4.50183259e-11,
1.44795625e-10, -1.93809771e-10, 4.90142015e-11,
0.00000000e+00, -2.75750755e-10, 2.75750762e-10]))
('conv_angle', 69.559966650868503)
('Site fractions', array([ 8.62041190e-01, 4.01214834e-02, 9.78373269e-02,
4.05672667e-06, 9.97682286e-01, 2.31365734e-03,
1.56188908e-01, 5.73656146e-01, 2.70154947e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.34362923, 0.65637077]))
('Chemical potentials', array([-41513.43854181, -38254.59196263, -43543.68722991]))
('Chem pot progress', array([ 3.59965634e-06, -1.04533683e-07, -2.02930823e-06]))
('Energy progress', -1.4129909686744213e-08)
('Driving force', -1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.15618891 0.5736561 0.27015499], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.15618891 0.57365615 0.27015495], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.15618891 0.57365615 0.27015495], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.15618891 0.57365615 0.27015495], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.15618888 0.5736562 0.27015492], NP=1.0), -3.637978807091713e-11), (CompositionSet(BCC_A2, [ 0.15618891 0.57365615 0.27015495], NP=1.0), 7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57469548 0.35930841 0.0659961 ], NP=1.0), -2.1827872842550278e-11), (CompositionSet(LAVES_C15, [ 0.57469549 0.35930841 0.0659961 ], NP=1.0), 0.0)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.20440300763157732), CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=0.7955969923684227)])
('reduced_hessian eigenvalues', array([ 3.22892613e+03, 5.35372207e+03, 1.13466981e+14,
3.40609531e+14, 4.44758713e+14]))
('NEW_L_MULTIPLIERS', array([ -1579.94796685, -4792.88359619, 7679.56455998, -20614.71012791,
-41071.20224441, -38561.93199764, -43423.66341338]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 5.55111512e-17,
0.00000000e+00, 2.95712978e-02, 5.78324080e-03,
-3.53545386e-02]))
('penalty', 10000)
('old_driving_force', -39575.012544543977, 0.035354538634709942)
('sublsum', -91.749269520480993)
(1.0, -40325.781721254658, 0.00012290011390431177)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60935516 0.33333333 0.05731151], NP=0.2025156508503266), CompositionSet(BCC_A2, [ 0.17114798 0.54230543 0.28654659], NP=0.7974843491496734)])
('step', array([ 2.51438455e-02, 3.45171641e-11, -2.51438455e-02,
2.16873399e-11, -5.20201126e-11, 3.03329688e-11,
-4.05717639e-02, -7.78325653e-03, 4.83550204e-02,
0.00000000e+00, -1.88735678e-03, 1.88735678e-03]))
('conv_angle', 87.358380341324647)
('Site fractions', array([ 9.14032734e-01, 3.55171641e-11, 8.59672656e-02,
2.26873399e-11, 1.00000000e+00, 3.13329688e-11,
1.71147978e-01, 5.42305430e-01, 2.86546592e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.20251565, 0.79748435]))
('Chemical potentials', array([-41071.20224441, -38561.93199764, -43423.66341338]))
('Chem pot progress', array([ 76.95519348, -171.01901074, -170.24540818]))
('Energy progress', -53.767953359565581)
('Driving force', 52.918078047208837)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60935516 0.33333333 0.05731151], NP=0.2025156508503266), CompositionSet(BCC_A2, [ 0.17114798 0.54230543 0.28654659], NP=0.7974843491496734)])
('reduced_hessian eigenvalues', array([ 3.54726687e+03, 6.86094324e+03, 5.93256823e+12,
1.79124155e+13, 1.87523489e+13]))
('NEW_L_MULTIPLIERS', array([ -1602.65069799, -4881.82506043, 7517.81703674, -20536.61967888,
-41128.78058954, -38424.33032512, -43427.37865238]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -7.84922435e-17, -5.55111512e-17,
0.00000000e+00, -1.08210332e-04, -1.46897820e-05,
1.22900114e-04]))
('penalty', 10000)
('old_driving_force', -40325.785473884622, 0.00012290011390431177)
('sublsum', -0.16215711492968682)
(1.0, -40328.202319239965, 6.0799298081670727e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60730896 0.33333333 0.0593577 ], NP=0.20613667246988468), CompositionSet(BCC_A2, [ 0.16981358 0.5432727 0.28691372], NP=0.7938633275301153)])
('step', array([ -3.06928987e-03, 7.44871152e-10, 3.06928913e-03,
2.78328047e-10, -8.45020367e-10, 5.66692398e-10,
-1.33439759e-03, 9.67269415e-04, 3.67128179e-04,
0.00000000e+00, 3.62102162e-03, -3.62102162e-03]))
('conv_angle', 89.940837854173466)
('Site fractions', array([ 9.10963445e-01, 7.80388316e-10, 8.90365547e-02,
3.01015387e-10, 9.99999999e-01, 5.98025367e-10,
1.69813580e-01, 5.43272700e-01, 2.86913720e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.20613667, 0.79386333]))
('Chemical potentials', array([-41128.78058954, -38424.33032512, -43427.37865238]))
('Chem pot progress', array([ -57.57834512, 137.60167253, -3.71523901]))
('Energy progress', 0.21833641595731024)
('Driving force', -0.10492542581050657)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60730896 0.33333333 0.0593577 ], NP=0.20613667246988468), CompositionSet(BCC_A2, [ 0.16981358 0.5432727 0.28691372], NP=0.7938633275301153)])
('reduced_hessian eigenvalues', array([ 3.59912234e+03, 6.79607767e+03, 3.49357581e+11,
8.28651749e+11, 1.30078177e+12]))
('NEW_L_MULTIPLIERS', array([ -1602.23123614, -4880.82733808, 7518.60748865, -20537.4082839 ,
-41128.49295761, -38424.22304484, -43428.35227291]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 7.07939254e-17, -5.55111512e-17,
0.00000000e+00, -2.57742712e-06, -3.50250269e-06,
6.07992981e-06]))
('penalty', 10000)
('old_driving_force', -40328.202312203321, 6.0799298081670727e-06)
('sublsum', -0.00034798783429270281)
(1.0, -40328.324182230725, 1.1087066820181235e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60731211 0.33333334 0.05935455], NP=0.2060911631570786), CompositionSet(BCC_A2, [ 0.16984109 0.54326508 0.28689383], NP=0.7939088368429214)])
('step', array([ 4.71950850e-06, 1.36693204e-08, -4.73317782e-06,
2.85149278e-09, -1.17154179e-08, 8.86392502e-09,
2.75094828e-05, -7.62444479e-06, -1.98850380e-05,
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('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57428624 0.35797722 0.06773655], NP=0.23881642397747785), CompositionSet(BCC_A2, [ 0.16138487 0.54456834 0.29404678], NP=0.7611835760225222)])
('reduced_hessian eigenvalues', array([ 2.98581832e+03, 6.60052313e+03, 2.09293887e+04,
1.17605403e+05, 8.89235782e+07]))
('NEW_L_MULTIPLIERS', array([ -1753.13658627, -5469.01412689, 7204.21921562, -19729.13240403,
-41450.41681958, -38404.26249017, -43282.11537136]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -1.09721260e-16, 0.00000000e+00,
0.00000000e+00, -7.49874896e-06, 7.31880030e-06,
1.79948667e-07]))
('penalty', 10000)
('old_driving_force', -40366.781016441164, 7.4987489643296712e-06)
('sublsum', -0.016353189309895835)
(1.0, -40366.939161528848, 3.3163536361513479e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57377248 0.35847921 0.06774831], NP=0.2388212855418818), CompositionSet(BCC_A2, [ 0.16155328 0.54440242 0.2940443 ], NP=0.7611787144581181)])
('step', array([ -7.70636165e-04, 7.66731456e-04, 3.90470896e-06,
4.82905465e-09, -2.74914322e-05, 2.74866031e-05,
1.68401864e-04, -1.65919568e-04, -2.48229659e-06,
0.00000000e+00, 4.86156440e-06, -4.86156440e-06]))
('conv_angle', 50.276522047921205)
('Site fractions', array([ 8.60656568e-01, 3.89493587e-02, 1.00394073e-01,
4.30142752e-06, 9.97538908e-01, 2.45679106e-03,
1.61553277e-01, 5.44402425e-01, 2.94044298e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.23882129, 0.76117871]))
('Chemical potentials', array([-41450.41681958, -38404.26249017, -43282.11537136]))
('Chem pot progress', array([ 5.8262331 , -1.06372637, -1.27923267]))
('Energy progress', -0.0301912547001848)
('Driving force', 0.0080794483656063676)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57377248 0.35847921 0.06774831], NP=0.2388212855418818), CompositionSet(BCC_A2, [ 0.16155328 0.54440242 0.2940443 ], NP=0.7611787144581181)])
('reduced_hessian eigenvalues', array([ 2.98082446e+03, 6.56580434e+03, 2.05738157e+04,
1.16293001e+05, 8.88246745e+07]))
('NEW_L_MULTIPLIERS', array([ -1753.13081754, -5468.9645228 , 7204.23040425, -19729.13873898,
-41450.34458135, -38404.27530746, -43282.13327064]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 4.51028104e-17, -5.55111512e-17,
0.00000000e+00, -3.31635364e-09, 3.24708771e-09,
6.92657876e-11]))
('penalty', 10000)
('old_driving_force', -40366.939161528564, 3.3163536361513479e-09)
('sublsum', -2.0034411097791899e-06)
(1.0, -40366.939228760035, 4.8658299611759048e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57376681 0.35848477 0.06774842], NP=0.2388206613432022), CompositionSet(BCC_A2, [ 0.1615554 0.54440052 0.29404408], NP=0.7611793386567979)])
('step', array([ -8.50953164e-06, 8.50357843e-06, 5.95320958e-09,
7.44250500e-11, -3.22493382e-07, 3.22418957e-07,
2.12230751e-06, -1.90167917e-06, -2.20628337e-07,
0.00000000e+00, -6.24198680e-07, 6.24198680e-07]))
('conv_angle', 53.187508618343017)
('Site fractions', array([ 8.60648059e-01, 3.89578623e-02, 1.00394079e-01,
4.30150194e-06, 9.97538585e-01, 2.45711348e-03,
1.61555399e-01, 5.44400523e-01, 2.94044078e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.23882066, 0.76117934]))
('Chemical potentials', array([-41450.34458135, -38404.27530746, -43282.13327064]))
('Chem pot progress', array([ 0.07223823, -0.01281729, -0.01789928]))
('Energy progress', -1.07795131043531e-05)
('Driving force', 9.788273018784821e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57376681 0.35848477 0.06774842], NP=0.2388206613432022), CompositionSet(BCC_A2, [ 0.1615554 0.54440052 0.29404408], NP=0.7611793386567979)])
('reduced_hessian eigenvalues', array([ 2.98058871e+03, 6.56463697e+03, 2.05715953e+04,
1.16277204e+05, 8.88229024e+07]))
('NEW_L_MULTIPLIERS', array([ -1753.13082001, -5468.9645213 , 7204.23040963, -19729.13876019,
-41450.34457043, -38404.27531375, -43282.1332653 ]))
('L_CONSTRAINTS', array([ 5.55111512e-17, -3.72965547e-17, 5.55111512e-17,
0.00000000e+00, 4.86582996e-12, -4.65849581e-12,
-2.07250883e-13]))
('penalty', 10000)
('old_driving_force', -40366.939228760035, 4.8658299611759048e-12)
('sublsum', -7.4710864024890632e-15)
(1.0, -40366.939228857365, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57376681 0.35848477 0.06774842], NP=0.2388206610471573), CompositionSet(BCC_A2, [ 0.1615554 0.54440052 0.29404408], NP=0.7611793389528427)])
('step', array([ -1.33505645e-10, 3.94237792e-10, -2.60732202e-10,
1.83893234e-13, 6.98497927e-11, -7.00336487e-11,
1.81834374e-10, -1.55954721e-10, -2.58797084e-11,
0.00000000e+00, -2.96044922e-10, 2.96044887e-10]))
('conv_angle', 74.691753615161005)
('Site fractions', array([ 8.60648059e-01, 3.89578627e-02, 1.00394079e-01,
4.30150213e-06, 9.97538585e-01, 2.45711341e-03,
1.61555399e-01, 5.44400523e-01, 2.94044078e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.23882066, 0.76117934]))
('Chemical potentials', array([-41450.34457043, -38404.27531375, -43282.1332653 ]))
('Chem pot progress', array([ 1.09254397e-05, -6.28771522e-06, 5.34194260e-06]))
('Energy progress', 1.3802491594105959e-08)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.1615554 0.54440052 0.29404408], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.1615554 0.54440052 0.29404408], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.1615554 0.54440048 0.29404411], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.16155532 0.54440058 0.2940441 ], NP=1.0), -1.3096723705530167e-10), (CompositionSet(BCC_A2, [ 0.16155537 0.54440055 0.29404408], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.1615554 0.54440058 0.29404403], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.1615554 0.54440052 0.29404408], NP=1.0), 1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57376681 0.35848477 0.06774842], NP=1.0), 0.0), (CompositionSet(LAVES_C15, [ 0.57376681 0.35848477 0.06774842], NP=1.0), 1.4551915228366852e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.14189666378113294), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.858103336218867)])
('reduced_hessian eigenvalues', array([ 3.50506901e+03, 4.58267708e+03, 7.91143492e+13,
2.37301947e+14, 3.13989560e+14]))
('NEW_L_MULTIPLIERS', array([ -1533.31614148, -4711.51507281, 7835.59055119, -20565.9781123 ,
-41249.33430904, -38590.43417225, -42012.49932983]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -3.73717877e-02, 1.33997679e-01,
-9.66258909e-02]))
('penalty', 10000)
('old_driving_force', -36944.132043798338, 0.13399767852054478)
('sublsum', -756.41380882336739)
(1.0, -39938.085984232312, 0.0074433273236800268)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60491607 0.33333333 0.0617506 ], NP=0.1993383656911459), CompositionSet(BCC_A2, [ 0.17410362 0.60074966 0.22514672], NP=0.8006616343088542)])
('step', array([ 1.84852185e-02, 4.91084534e-11, -1.84852186e-02,
3.08936008e-11, -7.41246552e-11, 4.32312632e-11,
1.26530185e-02, -1.29580550e-01, 1.16927531e-01,
0.00000000e+00, 5.74417019e-02, -5.74417019e-02]))
('conv_angle', 78.03041335959189)
('Site fractions', array([ 9.07374107e-01, 5.01084534e-11, 9.26258925e-02,
3.18936008e-11, 1.00000000e+00, 4.42312632e-11,
1.74103621e-01, 6.00749661e-01, 2.25146718e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.19933837, 0.80066163]))
('Chemical potentials', array([-41249.33430904, -38590.43417225, -42012.49932983]))
('Chem pot progress', array([ 143.204261 , -992.84623677, 2855.83234954]))
('Energy progress', -23.071576558235392)
('Driving force', -120.79129137477139)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60491607 0.33333333 0.0617506 ], NP=0.1993383656911459), CompositionSet(BCC_A2, [ 0.17410362 0.60074966 0.22514672], NP=0.8006616343088542)])
('reduced_hessian eigenvalues', array([ 3.16855894e+03, 7.12917973e+03, 4.14346140e+12,
1.25171313e+13, 1.31083612e+13]))
('NEW_L_MULTIPLIERS', array([ -1691.57054709, -5210.48151551, 7288.77185706, -20244.44076846,
-41178.7274265 , -38200.29940773, -44019.0437538 ]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -2.21137305e-17, 5.55111512e-17,
0.00000000e+00, -1.89293086e-05, 7.44332732e-03,
-7.42439802e-03]))
('penalty', 10000)
('old_driving_force', -39955.885932884121, 0.0074433273236800268)
('sublsum', -11.899165400760848)
(1.0, -40103.475229431664, 0.00040805564135135142)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6108736 0.33333333 0.05579306], NP=0.21902212198360543), CompositionSet(BCC_A2, [ 0.16205278 0.59802745 0.23991977], NP=0.7809778780163946)])
('step', array([ 8.93629554e-03, 1.11712862e-09, -8.93629666e-03,
4.07599789e-10, -1.24934485e-09, 8.41745080e-10,
-1.20508364e-02, -2.72221057e-03, 1.47730470e-02,
0.00000000e+00, 1.96837563e-02, -1.96837563e-02]))
('conv_angle', 89.127496714347373)
('Site fractions', array([ 9.16310403e-01, 1.16723707e-09, 8.36895959e-02,
4.39493390e-10, 9.99999999e-01, 8.85976344e-10,
1.62052784e-01, 5.98027450e-01, 2.39919765e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.21902212, 0.78097788]))
('Chemical potentials', array([-41178.7274265 , -38200.29940773, -44019.0437538 ]))
('Chem pot progress', array([ 70.60688254, 390.13476452, -2006.54442397]))
('Energy progress', -48.82231524772942)
('Driving force', 26.803219563873427)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6108736 0.33333333 0.05579306], NP=0.21902212198360543), CompositionSet(BCC_A2, [ 0.16205278 0.59802745 0.23991977], NP=0.7809778780163946)])
('reduced_hessian eigenvalues', array([ 3.96046927e+03, 7.72319961e+03, 2.51042191e+11,
5.86511061e+11, 9.42787056e+11]))
('NEW_L_MULTIPLIERS', array([ -1712.83457119, -5310.30918821, 7210.51023798, -20161.71052538,
-41235.50927701, -38129.7144837 , -44002.04527222]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 5.12867566e-17, -5.55111512e-17,
0.00000000e+00, 3.54472305e-04, 5.35833359e-05,
-4.08055641e-04]))
('penalty', 10000)
('old_driving_force', -40103.451947687601, 0.00040805564135135142)
('sublsum', -0.27656269892338581)
(1.0, -40111.540954346347, 1.0478895731247384e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61098833 0.33333334 0.05567833], NP=0.22280142004666673), CompositionSet(BCC_A2, [ 0.1593948 0.59923974 0.24136546], NP=0.7771985799533334)])
('step', array([ 1.72085264e-04, 2.03812814e-08, -1.72105645e-04,
4.01471201e-09, -1.68882755e-08, 1.28735634e-08,
-2.65798468e-03, 1.21229155e-03, 1.44569312e-03,
0.00000000e+00, 3.77929806e-03, -3.77929806e-03]))
('conv_angle', 89.874736249629308)
('Site fractions', array([ 9.16482488e-01, 2.15485185e-08, 8.35174902e-02,
4.45420540e-09, 9.99999982e-01, 1.37595398e-08,
1.59394800e-01, 5.99239742e-01, 2.41365458e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.22280142, 0.77719858]))
('Chemical potentials', array([-41235.50927701, -38129.7144837 , -44002.04527222]))
('Chem pot progress', array([-56.78185051, 70.58492402, 16.99848158]))
('Energy progress', -1.4307055291574216)
('Driving force', -0.063244593067793176)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61098833 0.33333334 0.05567833], NP=0.22280142004666673), CompositionSet(BCC_A2, [ 0.1593948 0.59923974 0.24136546], NP=0.7771985799533334)])
('reduced_hessian eigenvalues', array([ 4.02664614e+03, 7.92152157e+03, 1.75847068e+10,
3.22781614e+10, 8.84204785e+10]))
('NEW_L_MULTIPLIERS', array([ -1712.25564947, -5309.05179552, 7211.09198974, -20162.89613417,
-41235.55523431, -38129.56419948, -44002.73666883]))
('L_CONSTRAINTS', array([ -1.38777878e-17, -5.28169810e-17, 2.77555756e-17,
0.00000000e+00, 1.04788957e-05, -4.58158104e-06,
-5.89731469e-06]))
('penalty', 10000)
('old_driving_force', -40111.540957253615, 1.0478895731247384e-05)
('sublsum', -0.0058296017226216069)
(1.0, -40111.755518018232, 1.5805876052432666e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61098141 0.33333348 0.05568511], NP=0.2227451703267507), CompositionSet(BCC_A2, [ 0.15941598 0.59922635 0.24135767], NP=0.7772548296732493)])
('step', array([ -1.03884746e-05, 3.06980648e-07, 1.00814939e-05,
2.96740055e-08, -1.88431442e-07, 1.58757436e-07,
2.11837166e-05, -1.33906349e-05, -7.79308177e-06,
0.00000000e+00, -5.62497199e-05, 5.62497199e-05]))
('conv_angle', 89.768342731546596)
('Site fractions', array([ 9.16472100e-01, 3.28529166e-07, 8.35275717e-02,
3.41282109e-08, 9.99999793e-01, 1.72516976e-07,
1.59415983e-01, 5.99226351e-01, 2.41357665e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.22274517, 0.77725483]))
('Chemical potentials', array([-41235.55523431, -38129.56419948, -44002.73666883]))
('Chem pot progress', array([-0.0459573 , 0.15028422, -0.6913966 ]))
('Energy progress', -0.007103148716851138)
('Driving force', 0.00081277451681671664)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61098141 0.33333348 0.05568511], NP=0.2227451703267507), CompositionSet(BCC_A2, [ 0.15941598 0.59922635 0.24135767], NP=0.7772548296732493)])
('reduced_hessian eigenvalues', array([ 4.02680549e+03, 7.91926606e+03, 1.46303326e+09,
2.11717034e+09, 1.10545936e+10]))
('NEW_L_MULTIPLIERS', array([ -1712.36343911, -5309.58190751, 7210.85979048, -20162.3448094 ,
-41235.99847095, -38129.50650239, -44002.58712516]))
('L_CONSTRAINTS', array([ 5.55111512e-17, -1.24703129e-16, 5.55111512e-17,
0.00000000e+00, 1.58058761e-09, -7.61198105e-10,
-8.19389445e-10]))
('penalty', 10000)
('old_driving_force', -40111.755518017366, 1.5805876052432666e-09)
('sublsum', -0.054989056652246411)
(1.0, -40111.802006360391, 1.2858314413222161e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61097387 0.33333544 0.05569069], NP=0.2227685747051826), CompositionSet(BCC_A2, [ 0.15940455 0.5992338 0.24136166], NP=0.7772314252948174)])
('step', array([ -1.13899086e-05, 3.78682761e-06, 7.60308096e-06,
1.57943275e-07, -1.71286878e-06, 1.55492551e-06,
-1.14383992e-05, 7.44757617e-06, 3.99082305e-06,
0.00000000e+00, 2.34043784e-05, -2.34043784e-05]))
('conv_angle', 84.00395524732221)
('Site fractions', array([ 9.16460710e-01, 4.11535677e-06, 8.35351748e-02,
1.92071486e-07, 9.99998080e-01, 1.72744248e-06,
1.59404545e-01, 5.99233799e-01, 2.41361656e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.22276857, 0.77723143]))
('Chemical potentials', array([-41235.99847095, -38129.50650239, -44002.58712516]))
('Chem pot progress', array([-0.44323664, 0.05769709, 0.14954366]))
('Energy progress', -0.046459707991743926)
('Driving force', 0.008529837396054063)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61097387 0.33333544 0.05569069], NP=0.2227685747051826), CompositionSet(BCC_A2, [ 0.15940455 0.5992338 0.24136166], NP=0.7772314252948174)])
('reduced_hessian eigenvalues', array([ 4.02338119e+03, 7.91910236e+03, 1.49792809e+08,
1.69253753e+08, 1.91379982e+09]))
('NEW_L_MULTIPLIERS', array([ -1713.16396198, -5313.47424407, 7209.14317829, -20158.2496268 ,
-41239.21766521, -38129.09125255, -44001.49200755]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 1.04885761e-16, 2.77555756e-17,
0.00000000e+00, 9.12249720e-11, -1.28583144e-10,
3.73581721e-11]))
('penalty', 10000)
('old_driving_force', -40111.802006360085, 1.2858314413222161e-10)
('sublsum', -0.40225527098368463)
(1.0, -40112.133323032911, 5.6775157908361962e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61091193 0.33335609 0.05573198], NP=0.22294196539558922), CompositionSet(BCC_A2, [ 0.15932156 0.5992872 0.24139124], NP=0.7770580346044108)])
('step', array([ -9.31951106e-05, 3.70600293e-05, 5.61350813e-05,
5.57421975e-07, -1.21559172e-05, 1.15984952e-05,
-8.29852864e-05, 5.33987775e-05, 2.95865088e-05,
0.00000000e+00, 1.73390690e-04, -1.73390690e-04]))
('conv_angle', 82.390127684588435)
('Site fractions', array([ 9.16367515e-01, 4.11753861e-05, 8.35913099e-02,
7.49493462e-07, 9.99985925e-01, 1.33259377e-05,
1.59321560e-01, 5.99287198e-01, 2.41391242e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.22294197, 0.77705803]))
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('old_driving_force', -40153.172282767046, 7.6448641288529018e-05)
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('Driving force', 7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.15132366 0.60185054 0.2468258 ], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.15132364 0.6018506 0.24682576], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.15132363 0.60185057 0.2468258 ], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.15132366 0.60185054 0.2468258 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.15132366 0.60185054 0.2468258 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.15132366 0.60185054 0.2468258 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.15132366 0.60185054 0.2468258 ], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57603662 0.36013531 0.06382807], NP=1.0), -7.275957614183426e-12), (CompositionSet(LAVES_C15, [ 0.57603661 0.36013531 0.06382807], NP=1.0), -2.1827872842550278e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.04020036601434985), CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=0.9597996339856502)])
('reduced_hessian eigenvalues', array([ 8.89299138e+02, 3.19116274e+03, 2.24688875e+13,
6.74071715e+13, 8.98248506e+13]))
('NEW_L_MULTIPLIERS', array([ -1042.01088152, -3189.50638152, 8239.78513222, -22429.4577988 ,
-41223.01613522, -38398.85527472, -43605.69883291]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, 5.55111512e-17,
0.00000000e+00, 7.03096957e-03, 1.37504246e-03,
-8.40601203e-03]))
('penalty', 10000)
('old_driving_force', -39998.811756514027, 0.0084060120334585597)
('sublsum', -100.45704968502542)
(1.0, -40017.500750119536, 0.009244253837373595)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.64362215 0.33333333 0.02304452], NP=0.13458207540201902), CompositionSet(BCC_A2, [ 0.1648039 0.56997065 0.26522545], NP=0.8654179245979811)])
('step', array([ 7.65443314e-02, 1.16828672e-10, -7.65443315e-02,
7.32369939e-11, -1.75725959e-10, 1.02489151e-10,
-4.69158411e-02, 1.98819604e-02, 2.70338806e-02,
0.00000000e+00, 9.43817094e-02, -9.43817094e-02]))
('conv_angle', 84.447621225035903)
('Site fractions', array([ 9.65433220e-01, 1.17828672e-10, 3.45667796e-02,
7.42369939e-11, 1.00000000e+00, 1.03489151e-10,
1.64803901e-01, 5.69970647e-01, 2.65225452e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.13458208, 0.86541792]))
('Chemical potentials', array([-41223.01613522, -38398.85527472, -43605.69883291]))
('Chem pot progress', array([ -74.85869734, -7.94228781, -352.28082771]))
('Energy progress', -25.62234030210675)
('Driving force', 67.427291127343778)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.64362215 0.33333333 0.02304452], NP=0.13458207540201902), CompositionSet(BCC_A2, [ 0.1648039 0.56997065 0.26522545], NP=0.8654179245979811)])
('reduced_hessian eigenvalues', array([ 3.52464926e+03, 1.09319953e+04, 1.20232267e+12,
3.64752745e+12, 3.80807977e+12]))
('NEW_L_MULTIPLIERS', array([ -940.74981664, -2949.66894739, 8232.30625463, -22712.39523955,
-41234.81596725, -38289.89797033, -43635.17923276]))
('L_CONSTRAINTS', array([ -3.46944695e-17, -6.61323387e-17, -5.55111512e-17,
0.00000000e+00, 9.24425384e-03, -1.87649341e-03,
-7.36776043e-03]))
('penalty', 10000)
('old_driving_force', -40017.404416336911, 0.009244253837373595)
('sublsum', -19.704757487976035)
(1.0, -40210.177971077894, 0.00020976141403641901)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.62390709 0.33333333 0.04275957], NP=0.12318502294372219), CompositionSet(BCC_A2, [ 0.16349373 0.56902258 0.26748369], NP=0.8768149770562778)])
('step', array([ -2.95725792e-02, 2.09395269e-09, 2.95725771e-02,
7.19716007e-10, -2.27456990e-09, 1.55485396e-09,
-1.31016985e-03, -9.48067443e-04, 2.25823729e-03,
0.00000000e+00, -1.13970525e-02, 1.13970525e-02]))
('conv_angle', 88.250142740867432)
('Site fractions', array([ 9.35860641e-01, 2.21178136e-09, 6.41393568e-02,
7.93953001e-10, 9.99999998e-01, 1.65834312e-09,
1.63493731e-01, 5.69022580e-01, 2.67483689e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.12318502, 0.87681498]))
('Chemical potentials', array([-41234.81596725, -38289.89797033, -43635.17923276]))
('Chem pot progress', array([ -11.79983203, 108.95730439, -29.48039985]))
('Energy progress', -23.79714168622013)
('Driving force', 6.2742332771522342)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.62390709 0.33333333 0.04275957], NP=0.12318502294372219), CompositionSet(BCC_A2, [ 0.16349373 0.56902258 0.26748369], NP=0.8768149770562778)])
('reduced_hessian eigenvalues', array([ 3.17272487e+03, 6.27767761e+03, 7.64743535e+10,
1.78185586e+11, 2.92907033e+11]))
('NEW_L_MULTIPLIERS', array([ -963.56588458, -2972.45260773, 8212.54623339, -22662.22398256,
-41204.24203846, -38289.01396548, -43654.8568708 ]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 9.70400883e-17, 5.55111512e-17,
0.00000000e+00, 2.09761414e-04, -1.08051817e-05,
-1.98956232e-04]))
('penalty', 10000)
('old_driving_force', -40210.188289745318, 0.00020976141403641901)
('sublsum', -3.6830488716566929)
(1.0, -40215.834784072518, 2.6596685494567618e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6105418 0.33333335 0.05612485], NP=0.12501328723198626), CompositionSet(BCC_A2, [ 0.16417219 0.56952634 0.26630147], NP=0.8749867127680137)])
('step', array([ -2.00479490e-02, 3.70373633e-08, 2.00479120e-02,
6.78321569e-09, -2.98879788e-08, 2.31047630e-08,
6.78462068e-04, 5.03761467e-04, -1.18222353e-03,
0.00000000e+00, 1.82826429e-03, -1.82826429e-03]))
('conv_angle', 89.319277994876487)
('Site fractions', array([ 9.15812692e-01, 3.92491447e-08, 8.41872687e-02,
7.57716869e-09, 9.99999968e-01, 2.47631061e-08,
1.64172193e-01, 5.69526341e-01, 2.66301466e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.12501329, 0.87498671]))
('Chemical potentials', array([-41204.24203846, -38289.01396548, -43654.8568708 ]))
('Chem pot progress', array([ 30.57392879, 0.88400485, -19.67763804]))
('Energy progress', -2.507128386576369)
('Driving force', 1.7997210289759096)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6105418 0.33333335 0.05612485], NP=0.12501328723198626), CompositionSet(BCC_A2, [ 0.16417219 0.56952634 0.26630147], NP=0.8749867127680137)])
('reduced_hessian eigenvalues', array([ 3.10868309e+03, 5.07694391e+03, 5.55598294e+09,
1.01874641e+10, 2.91318652e+10]))
('NEW_L_MULTIPLIERS', array([ -961.1100822 , -2951.31498069, 8219.94424557, -22678.10377365,
-41179.0406261 , -38291.11314062, -43665.98340632]))
('L_CONSTRAINTS', array([ -4.16333634e-17, -1.25642812e-17, 0.00000000e+00,
0.00000000e+00, -2.56757033e-05, -9.20982171e-07,
2.65966855e-05]))
('penalty', 10000)
('old_driving_force', -40215.833843012864, 2.6596685494567618e-05)
('sublsum', -0.072057069760414552)
(1.0, -40216.369206003386, 1.7471541091662601e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60884586 0.3333336 0.05782054], NP=0.12426896274384171), CompositionSet(BCC_A2, [ 0.16482356 0.56932644 0.26585001], NP=0.8757310372561583)])
('step', array([ -2.54393070e-03, 5.31556532e-07, 2.54339914e-03,
4.66872286e-08, -3.18414104e-07, 2.71726875e-07,
6.51363428e-04, -1.99905068e-04, -4.51458359e-04,
0.00000000e+00, -7.44324488e-04, 7.44324488e-04]))
('conv_angle', 89.881726743813786)
('Site fractions', array([ 9.13268761e-01, 5.70805677e-07, 8.67306679e-02,
5.42643973e-08, 9.99999649e-01, 2.96489981e-07,
1.64823556e-01, 5.69326436e-01, 2.65850007e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.12426896, 0.87573104]))
('Chemical potentials', array([-41179.0406261 , -38291.11314062, -43665.98340632]))
('Chem pot progress', array([ 25.20141236, -2.09917514, -11.12653552]))
('Energy progress', 0.03397613135166466)
('Driving force', 0.021902108564972878)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60884586 0.3333336 0.05782054], NP=0.12426896274384171), CompositionSet(BCC_A2, [ 0.16482356 0.56932644 0.26585001], NP=0.8757310372561583)])
('reduced_hessian eigenvalues', array([ 3.08887725e+03, 4.91274138e+03, 4.80617132e+08,
6.96418700e+08, 3.88102269e+09]))
('NEW_L_MULTIPLIERS', array([ -961.23276342, -2951.69994798, 8219.74835996, -22677.65355624,
-41179.28079057, -38291.07885491, -43665.94907398]))
('L_CONSTRAINTS', array([ 2.77555756e-17, -2.35623919e-17, 1.11022302e-16,
0.00000000e+00, 1.74715411e-06, -1.48979004e-07,
-1.59817511e-06]))
('penalty', 10000)
('old_driving_force', -40216.369205523806, 1.7471541091662601e-06)
('sublsum', -0.047980212574595303)
(1.0, -40216.444457968653, 7.7494669015187867e-10)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60880117 0.33333684 0.05786199], NP=0.12428786040156642), CompositionSet(BCC_A2, [ 0.16481832 0.56933124 0.26585044], NP=0.8757121395984336)])
('step', array([ -6.71426350e-05, 6.24972518e-06, 6.08929098e-05,
2.29584362e-07, -2.76685864e-06, 2.53727427e-06,
-5.23579548e-06, 4.80231681e-06, 4.33478668e-07,
0.00000000e+00, 1.88976577e-05, -1.88976577e-05]))
('conv_angle', 85.968973229450711)
('Site fractions', array([ 9.13201619e-01, 6.82053086e-06, 8.67915608e-02,
2.83848759e-07, 9.99996882e-01, 2.83376425e-06,
1.64818320e-01, 5.69331239e-01, 2.65850441e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.12428786, 0.87571214]))
('Chemical potentials', array([-41179.28079057, -38291.07885491, -43665.94907398]))
('Chem pot progress', array([-0.24016447, 0.03428571, 0.03433234]))
('Energy progress', -0.04387072356621502)
('Driving force', 0.0076598654268309474)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60880117 0.33333684 0.05786199], NP=0.12428786040156642), CompositionSet(BCC_A2, [ 0.16481832 0.56933124 0.26585044], NP=0.8757121395984336)])
('reduced_hessian eigenvalues', array([ 3.08519228e+03, 4.90827056e+03, 5.15426635e+07,
5.82957793e+07, 7.24015758e+08]))
('NEW_L_MULTIPLIERS', array([ -962.9394632 , -2958.07151397, 8216.97053405, -22671.14456799,
-41184.00188949, -38290.51678929, -43664.22584487]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 2.15976461e-17, 5.55111512e-17,
0.00000000e+00, -7.45501882e-10, -2.94447799e-11,
7.74946690e-10]))
('penalty', 10000)
('old_driving_force', -40216.444457973492, 7.7494669015187867e-10)
('sublsum', -0.32919411081854699)
(1.0, -40216.713790137132, 1.0460062260797542e-08)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60870453 0.33336922 0.05792625], NP=0.12456508133571999), CompositionSet(BCC_A2, [ 0.16469149 0.56940135 0.26590716], NP=0.8754349186642801)])
('step', array([ -1.45333320e-04, 5.78834789e-05, 8.74498408e-05,
7.32819449e-07, -1.86258586e-05, 1.78930392e-05,
-1.26832597e-04, 7.01122293e-05, 5.67203672e-05,
0.00000000e+00, 2.77220934e-04, -2.77220934e-04]))
('conv_angle', 82.484933215639614)
('Site fractions', array([ 9.13056285e-01, 6.47040098e-05, 8.68790106e-02,
1.01666821e-06, 9.99978257e-01, 2.07268034e-05,
1.64691488e-01, 5.69401351e-01, 2.65907161e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.12456508, 0.87543492]))
('Chemical potentials', array([-41184.00188949, -38290.51678929, -43664.22584487]))
('Chem pot progress', array([-4.72109892, 0.56206562, 1.72322911]))
('Energy progress', -0.2695593116877717)
('Driving force', 0.059685336775146425)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60870453 0.33336922 0.05792625], NP=0.12456508133571999), CompositionSet(BCC_A2, [ 0.16469149 0.56940135 0.26590716], NP=0.8754349186642801)])
('reduced_hessian eigenvalues', array([ 3.06864897e+03, 4.89412540e+03, 6.15696481e+06,
7.16371503e+06, 1.99770421e+08]))
('NEW_L_MULTIPLIERS', array([ -971.42219142, -2989.65366995, 8203.10834196, -22638.54122553,
-41207.20439162, -38287.77716503, -43655.72310012]))
('L_CONSTRAINTS', array([ 1.38777878e-17, -2.79859686e-18, -5.55111512e-17,
0.00000000e+00, 8.36874275e-09, -1.04600623e-08,
2.09131956e-09]))
('penalty', 10000)
('old_driving_force', -40216.713789932081, 1.0460062260797542e-08)
('sublsum', -1.6435120867329549)
(1.0, -40218.012247778963, 1.3671479703880607e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.6081374 0.33361008 0.05825252], NP=0.12595126652826516), CompositionSet(BCC_A2, [ 0.16406911 0.56974083 0.26619006], NP=0.8740487334717348)])
('step', array([ -8.51360266e-04, 4.07185303e-04, 4.44174963e-04,
1.33841510e-06, -9.18101284e-05, 9.04717133e-05,
-6.22374540e-04, 3.39480139e-04, 2.82894401e-04,
0.00000000e+00, 1.38618519e-03, -1.38618519e-03]))
('conv_angle', 79.849365494420439)
('Site fractions', array([ 9.12204925e-01, 4.71889313e-04, 8.73231856e-02,
2.35508331e-06, 9.99886446e-01, 1.11198517e-04,
1.64069113e-01, 5.69740831e-01, 2.66190056e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.12595127, 0.87404873]))
('Chemical potentials', array([-41207.20439162, -38287.77716503, -43655.72310012]))
('Chem pot progress', array([-23.20250213, 2.73962426, 8.50274475]))
('Energy progress', -1.3014936467588996)
('Driving force', 0.34319722597138025)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.6081374 0.33361008 0.05825252], NP=0.12595126652826516), CompositionSet(BCC_A2, [ 0.16406911 0.56974083 0.26619006], NP=0.8740487334717348)])
('reduced_hessian eigenvalues', array([ 3.01170199e+03, 4.88622134e+03, 8.53605673e+05,
1.35979684e+06, 8.65615568e+07]))
('NEW_L_MULTIPLIERS', array([ -999.66502647, -3094.82928294, 8156.32183682, -22527.68273169,
-41283.66993236, -38278.94697416, -43627.5253735 ]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -1.71846044e-17, -5.55111512e-17,
0.00000000e+00, 7.65828058e-08, -1.36714797e-07,
6.01319912e-08]))
('penalty', 10000)
('old_driving_force', -40218.012242411387, 1.3671479703880607e-07)
('sublsum', -5.6167452137753502)
(1.0, -40222.231113972848, 1.8511917996288929e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.60570776 0.33489688 0.05939537], NP=0.13064636393051893), CompositionSet(BCC_A2, [ 0.16203375 0.57082397 0.26714227], NP=0.8693536360694811)])
('step', array([ -3.64503585e-03, 2.08445920e-03, 1.56057665e-03,
1.14562785e-06, -3.08517909e-04, 3.07372282e-04,
-2.03536015e-03, 1.08314270e-03, 9.52217451e-04,
0.00000000e+00, 4.69509740e-03, -4.69509740e-03]))
('conv_angle', 75.424970796607909)
('Site fractions', array([ 9.08559889e-01, 2.55634851e-03, 8.88837623e-02,
3.50071116e-06, 9.99577928e-01, 4.18570798e-04,
1.62033753e-01, 5.70823974e-01, 2.67142273e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.13064636, 0.86935364]))
('Chemical potentials', array([-41283.66993236, -38278.94697416, -43627.5253735 ]))
('Chem pot progress', array([-76.46554074, 8.83019087, 28.19772662]))
('Energy progress', -4.251834030823375)
('Driving force', 1.3767029967420967)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.60570776 0.33489688 0.05939537], NP=0.13064636393051893), CompositionSet(BCC_A2, [ 0.16203375 0.57082397 0.26714227], NP=0.8693536360694811)])
('reduced_hessian eigenvalues', array([ 2.88624024e+03, 4.96679412e+03, 1.63728535e+05,
3.75833816e+05, 6.01974896e+07]))
('NEW_L_MULTIPLIERS', array([ -1054.56274228, -3301.0089829 , 8061.60910747, -22299.50012852,
-41430.47482571, -38262.87530136, -43573.17390334]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 7.42136387e-17, 5.55111512e-17,
0.00000000e+00, -1.85119180e-06, 9.56191628e-07,
8.95000171e-07]))
('penalty', 10000)
('old_driving_force', -40222.231449749037, 1.8511917996288929e-06)
('sublsum', -11.842082524306393)
(1.0, -40230.032654822629, 3.1315600581727221e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59861743 0.33947792 0.06190464], NP=0.14022630992913412), CompositionSet(BCC_A2, [ 0.1582123 0.57273426 0.26905344], NP=0.8597736900708659)])
('step', array([ -1.06356598e-02, 7.19056637e-03, 3.44509343e-03,
3.41358142e-07, -6.37988035e-04, 6.37646677e-04,
-3.82145582e-03, 1.91028749e-03, 1.91116833e-03,
0.00000000e+00, 9.57994600e-03, -9.57994600e-03]))
('conv_angle', 68.472453895283223)
('Site fractions', array([ 8.97924229e-01, 9.74691488e-03, 9.23288557e-02,
3.84206930e-06, 9.98939940e-01, 1.05621748e-03,
1.58212297e-01, 5.72734261e-01, 2.69053441e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.14022631, 0.85977369]))
('Chemical potentials', array([-41430.47482571, -38262.87530136, -43573.17390334]))
('Chem pot progress', array([-146.80489335, 16.0716728 , 54.35147016]))
('Energy progress', -8.322836335006286)
('Driving force', 3.5598943604563829)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59861743 0.33947792 0.06190464], NP=0.14022630992913412), CompositionSet(BCC_A2, [ 0.1582123 0.57273426 0.26905344], NP=0.8597736900708659)])
('reduced_hessian eigenvalues', array([ 2.74127028e+03, 5.21658730e+03, 4.65586898e+04,
1.59964445e+05, 5.87795536e+07]))
('NEW_L_MULTIPLIERS', array([ -1101.0636749 , -3476.77931218, 7972.67792879, -22074.44452972,
-41542.35486203, -38253.07920736, -43529.50353111]))
('L_CONSTRAINTS', array([ -5.55111512e-17, -8.02309608e-18, -5.55111512e-17,
0.00000000e+00, -3.13156006e-05, 2.55857437e-05,
5.72985692e-06]))
('penalty', 10000)
('old_driving_force', -40230.036659278492, 3.1315600581727221e-05)
('sublsum', -12.137897948467453)
(1.0, -40236.745204396859, 8.5178794709706018e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.58664506 0.34862252 0.06473241], NP=0.1494459583429558), CompositionSet(BCC_A2, [ 0.15547876 0.57371434 0.2708069 ], NP=0.8505540416570442)])
('step', array([ -1.79586123e-02, 1.40740351e-02, 3.88457724e-03,
1.12539650e-07, -7.14268491e-04, 7.14155951e-04,
-2.73353742e-03, 9.80074290e-04, 1.75346313e-03,
0.00000000e+00, 9.21964841e-03, -9.21964841e-03]))
('conv_angle', 60.629687861454954)
('Site fractions', array([ 8.79965617e-01, 2.38209500e-02, 9.62134329e-02,
3.95460895e-06, 9.98225672e-01, 1.77037343e-03,
1.55478760e-01, 5.73714336e-01, 2.70806905e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.14944596, 0.85055404]))
('Chemical potentials', array([-41542.35486203, -38253.07920736, -43529.50353111]))
('Chem pot progress', array([-111.88003631, 9.79609401, 43.67037222]))
('Energy progress', -7.63066652543057)
('Driving force', 4.6129087944209459)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.58664506 0.34862252 0.06473241], NP=0.1494459583429558), CompositionSet(BCC_A2, [ 0.15547876 0.57371434 0.2708069 ], NP=0.8505540416570442)])
('reduced_hessian eigenvalues', array([ 2.62901175e+03, 5.32815700e+03, 2.07957896e+04,
1.01693997e+05, 6.08159041e+07]))
('NEW_L_MULTIPLIERS', array([ -1110.5604421 , -3504.00910883, 7949.02387355, -22000.94584655,
-41533.22433939, -38257.50404379, -43526.10367795]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -4.35849273e-17, 1.11022302e-16,
0.00000000e+00, -8.51787947e-05, 7.52740617e-05,
9.90473299e-06]))
('penalty', 10000)
('old_driving_force', -40236.744127269172, 8.5178794709706018e-05)
('sublsum', -4.0911029648377095)
(1.0, -40240.249673899634, 2.6572413740932888e-05)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57733931 0.35671389 0.0659468 ], NP=0.1522012179497247), CompositionSet(BCC_A2, [ 0.15581726 0.5729333 0.27124944], NP=0.8477987820502754)])
('step', array([ -1.39586732e-02, 1.23502412e-02, 1.60843199e-03,
8.88955954e-08, -4.26381678e-04, 4.26292782e-04,
3.38497949e-04, -7.81031818e-04, 4.42533869e-04,
0.00000000e+00, 2.75525961e-03, -2.75525961e-03]))
('conv_angle', 51.069004416996677)
('Site fractions', array([ 8.66006944e-01, 3.61711912e-02, 9.78218649e-02,
4.04350455e-06, 9.97799290e-01, 2.19666621e-03,
1.55817258e-01, 5.72933304e-01, 2.71249438e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.15220122, 0.84779878]))
('Chemical potentials', array([-41533.22433939, -38257.50404379, -43526.10367795]))
('Chem pot progress', array([ 9.13052264, -4.42483643, 3.39985317]))
('Energy progress', -2.4844175273610745)
('Driving force', 1.8452988450517296)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57733931 0.35671389 0.0659468 ], NP=0.1522012179497247), CompositionSet(BCC_A2, [ 0.15581726 0.5729333 0.27124944], NP=0.8477987820502754)])
('reduced_hessian eigenvalues', array([ 2.56093059e+03, 5.11428086e+03, 1.43956186e+04,
8.34651396e+04, 6.05609168e+07]))
('NEW_L_MULTIPLIERS', array([ -1108.46682595, -3490.86520163, 7951.51644262, -22001.28175999,
-41512.37874101, -38260.9330644 , -43530.84947263]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 1.24466409e-16, -5.55111512e-17,
0.00000000e+00, -2.65724137e-05, 2.44457619e-05,
2.12665187e-06]))
('penalty', 10000)
('old_driving_force', -40240.249026064099, 2.6572413740932888e-05)
('sublsum', -0.25272119990521758)
(1.0, -40240.903777387364, 3.8167449195602998e-07)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57479085 0.35913026 0.06607889], NP=0.15207803991583238), CompositionSet(BCC_A2, [ 0.15636736 0.57243925 0.27119339], NP=0.8479219600841675)])
('step', array([ -3.82270216e-03, 3.68278339e-03, 1.39918768e-04,
2.29032511e-08, -1.16445229e-04, 1.16422325e-04,
5.50099232e-04, -4.94049173e-04, -5.60500592e-05,
0.00000000e+00, -1.23178034e-04, 1.23178034e-04]))
('conv_angle', 52.704599868009034)
('Site fractions', array([ 8.62184242e-01, 3.98539746e-02, 9.79617837e-02,
4.06640780e-06, 9.97682845e-01, 2.31308853e-03,
1.56367357e-01, 5.72439255e-01, 2.71193388e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.15207804, 0.84792196]))
('Chemical potentials', array([-41512.37874101, -38260.9330644 , -43530.84947263]))
('Chem pot progress', array([ 20.84559838, -3.42902061, -4.74579468]))
('Energy progress', -0.20724688769405475)
('Driving force', 0.11964035254641203)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.57479085 0.35913026 0.06607889], NP=0.15207803991583238), CompositionSet(BCC_A2, [ 0.15636736 0.57243925 0.27119339], NP=0.8479219600841675)])
('reduced_hessian eigenvalues', array([ 2.54113055e+03, 4.99455432e+03, 1.32276873e+04,
7.92028582e+04, 6.01697514e+07]))
('NEW_L_MULTIPLIERS', array([ -1108.1751459 , -3489.47151625, 7951.96035777, -22002.02955039,
-41510.74881072, -38261.17960048, -43531.29364936]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -5.29090660e-17, 5.55111512e-17,
0.00000000e+00, 3.81674492e-07, -3.58500186e-07,
-2.31743063e-08]))
('penalty', 10000)
('old_driving_force', -40240.903778108142, 3.8167449195602998e-07)
('sublsum', -0.00081712699413549208)
(1.0, -40240.911681253776, 6.9909293909375947e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5746471 0.3592719 0.066081 ], NP=0.15204075089442096), CompositionSet(BCC_A2, [ 0.15641109 0.57240489 0.27118402], NP=0.847959249105579)])
('step', array([ -2.15621303e-04, 2.16004685e-04, -3.83382687e-07,
1.27532951e-09, -7.10763490e-06, 7.10635957e-06,
4.37324525e-05, -3.43604628e-05, -9.37198962e-06,
0.00000000e+00, -3.72890214e-05, 3.72890214e-05]))
('conv_angle', 60.304068367229078)
('Site fractions', array([ 8.61968620e-01, 4.00699793e-02, 9.79614003e-02,
4.06768313e-06, 9.97675737e-01, 2.32019489e-03,
1.56411089e-01, 5.72404894e-01, 2.71184016e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.15204075, 0.84795925]))
('Chemical potentials', array([-41510.74881072, -38261.17960048, -43531.29364936]))
('Chem pot progress', array([ 1.62993029, -0.24653608, -0.44417673]))
('Energy progress', 0.0006882115922053345)
('Driving force', 0.00037739158142358065)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5746471 0.3592719 0.066081 ], NP=0.15204075089442096), CompositionSet(BCC_A2, [ 0.15641109 0.57240489 0.27118402], NP=0.847959249105579)])
('reduced_hessian eigenvalues', array([ 2.54013252e+03, 4.98467407e+03, 1.31645053e+04,
7.89404916e+04, 6.01361399e+07]))
('NEW_L_MULTIPLIERS', array([ -1108.17366111, -3489.46579668, 7951.96236715, -22002.03369147,
-41510.7434726 , -38261.18025572, -43531.29549592]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -1.34441069e-17, -5.55111512e-17,
0.00000000e+00, 6.99092939e-09, -6.56265808e-09,
-4.28271446e-10]))
('penalty', 10000)
('old_driving_force', -40240.91168125382, 6.9909293909375947e-09)
('sublsum', -8.9322529675812944e-09)
(1.0, -40240.911821074471, 1.2007062011321068e-13)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57464665 0.35927236 0.06608099], NP=0.15204055865746852), CompositionSet(BCC_A2, [ 0.15641126 0.57240477 0.27118397], NP=0.8479594413425315)])
('step', array([ -6.84231790e-07, 7.02550596e-07, -1.83188057e-08,
1.02765002e-12, -2.13095045e-08, 2.13084769e-08,
1.68361289e-07, -1.23284567e-07, -4.50767220e-08,
0.00000000e+00, -1.92236952e-07, 1.92236953e-07]))
('conv_angle', 64.250529966374842)
('Site fractions', array([ 8.61967936e-01, 4.00706818e-02, 9.79613820e-02,
4.06768415e-06, 9.97675716e-01, 2.32021620e-03,
1.56411258e-01, 5.72404771e-01, 2.71183971e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.15204056, 0.84795944]))
('Chemical potentials', array([-41510.7434726 , -38261.18025572, -43531.29549592]))
('Chem pot progress', array([ 0.00533812, -0.00065524, -0.00184656]))
('Energy progress', 2.045560540864244e-05)
('Driving force', 3.9872247725725174e-09)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.15641126 0.57240479 0.27118395], NP=1.0), 4.0745362639427185e-10), (CompositionSet(BCC_A2, [ 0.15641126 0.57240477 0.27118397], NP=1.0), 4.0745362639427185e-10), (CompositionSet(BCC_A2, [ 0.15641126 0.57240477 0.27118397], NP=1.0), 4.0745362639427185e-10), (CompositionSet(BCC_A2, [ 0.15641126 0.57240477 0.27118397], NP=1.0), 4.0745362639427185e-10), (CompositionSet(BCC_A2, [ 0.15641124 0.5724048 0.27118396], NP=1.0), 4.001776687800884e-10), (CompositionSet(BCC_A2, [ 0.15641126 0.57240477 0.27118397], NP=1.0), 4.0745362639427185e-10)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.57464665 0.35927235 0.06608099], NP=1.0), -2.849992597475648e-08), (CompositionSet(LAVES_C15, [ 0.57464665 0.35927235 0.06608099], NP=1.0), -2.849992597475648e-08)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.051877174502735185), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.9481228254972648)])
('reduced_hessian eigenvalues', array([ 1.15522199e+03, 4.23126432e+03, 2.89921946e+13,
8.69748977e+13, 1.15866010e+14]))
('NEW_L_MULTIPLIERS', array([ -918.96090724, -2899.61620416, 8474.9791532 , -22670.40329644,
-41420.48439775, -38411.44872494, -42606.84884661]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -3.61829694e-02, 1.29735135e-01,
-9.35521653e-02]))
('penalty', 10000)
('old_driving_force', -36975.781338175206, 0.12973513469247933)
('sublsum', -658.1743879622087)
(1.0, -39751.664100561771, 0.010175215419874595)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.63552018 0.33333333 0.03114649], NP=0.12135651015470204), CompositionSet(BCC_A2, [ 0.16567004 0.62258884 0.21174112], NP=0.878643489845298)])
('step', array([ 6.43913828e-02, 8.19318164e-11, -6.43913829e-02,
5.06824335e-11, -1.21754806e-10, 7.10725573e-11,
4.21944104e-03, -1.07741373e-01, 1.03521932e-01,
0.00000000e+00, 6.94793357e-02, -6.94793357e-02]))
('conv_angle', 66.991348287008634)
('Site fractions', array([ 9.53280272e-01, 8.29318164e-11, 4.67197282e-02,
5.16824335e-11, 1.00000000e+00, 7.20725573e-11,
1.65670043e-01, 6.22588838e-01, 2.11741119e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.12135651, 0.87864349]))
('Chemical potentials', array([-41420.48439775, -38411.44872494, -42606.84884661]))
('Chem pot progress', array([ -27.94582771, -813.86078946, 2261.48283276]))
('Energy progress', -33.946034891705494)
('Driving force', -42.651811665382411)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.63552018 0.33333333 0.03114649], NP=0.12135651015470204), CompositionSet(BCC_A2, [ 0.16567004 0.62258884 0.21174112], NP=0.878643489845298)])
('reduced_hessian eigenvalues', array([ 3.03189853e+03, 8.59840847e+03, 1.55794251e+12,
4.68401139e+12, 4.93411744e+12]))
('NEW_L_MULTIPLIERS', array([ -1089.3166957 , -3451.89031657, 7899.16504729, -22244.03426979,
-41400.86047897, -38047.59108362, -44221.2397596 ]))
('L_CONSTRAINTS', array([ 4.16333634e-17, -1.27895918e-17, -8.32667268e-17,
0.00000000e+00, 2.68941637e-03, 7.48579905e-03,
-1.01752154e-02]))
('penalty', 10000)
('old_driving_force', -39770.86741794664, 0.010175215419874595)
('sublsum', -19.735387542057882)
(1.0, -39979.410104725102, 0.00023885071947588044)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61290381 0.33333333 0.05376286], NP=0.14429905372835777), CompositionSet(BCC_A2, [ 0.15346449 0.62162196 0.22491355], NP=0.8557009462716423)])
('step', array([ -3.39245612e-02, 1.95489410e-09, 3.39245593e-02,
6.75947918e-10, -2.11139764e-09, 1.43544974e-09,
-1.22055527e-02, -9.66879195e-04, 1.31724319e-02,
0.00000000e+00, 2.29425436e-02, -2.29425436e-02]))
('conv_angle', 88.515525075642145)
('Site fractions', array([ 9.19355710e-01, 2.03782591e-09, 8.06442875e-02,
7.27630351e-10, 9.99999998e-01, 1.50752230e-09,
1.53464491e-01, 6.21621958e-01, 2.24913551e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.14429905, 0.85570095]))
('Chemical potentials', array([-41400.86047897, -38047.59108362, -44221.2397596 ]))
('Chem pot progress', array([ 19.62391878, 363.85764132, -1614.39091299]))
('Energy progress', -64.15196189859853)
('Driving force', 35.852966678212397)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61290381 0.33333333 0.05376286], NP=0.14429905372835777), CompositionSet(BCC_A2, [ 0.15346449 0.62162196 0.22491355], NP=0.8557009462716423)])
('reduced_hessian eigenvalues', array([ 3.62290288e+03, 5.98763516e+03, 9.82943650e+10,
2.25794470e+11, 3.74690137e+11]))
('NEW_L_MULTIPLIERS', array([ -1076.50359137, -3361.32901916, 7900.96269533, -22327.98779937,
-41274.91284571, -38010.4154573 , -44287.92855924]))
('L_CONSTRAINTS', array([ -4.16333634e-17, 8.08854759e-17, 2.77555756e-17,
0.00000000e+00, -2.38850719e-04, 2.21826818e-05,
2.16668038e-04]))
('penalty', 10000)
('old_driving_force', -39979.366397366022, 0.00023885071947588044)
('sublsum', -0.22294605153328656)
(1.0, -39984.087323564316, 8.4466102312774627e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61285969 0.33333335 0.05380696], NP=0.1406287446351827), CompositionSet(BCC_A2, [ 0.15572171 0.62035949 0.2239188 ], NP=0.8593712553648174)])
('step', array([ -6.61820701e-05, 3.30186542e-08, 6.61490514e-05,
5.97259028e-09, -2.60729383e-08, 2.01003479e-08,
2.25721546e-03, -1.26246555e-03, -9.94749914e-04,
0.00000000e+00, -3.67030909e-03, 3.67030909e-03]))
('conv_angle', 89.832668780001526)
('Site fractions', array([ 9.19289528e-01, 3.50564801e-08, 8.07104366e-02,
6.70022063e-09, 9.99999972e-01, 2.16078702e-08,
1.55721706e-01, 6.20359493e-01, 2.23918801e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.14062874, 0.85937126]))
('Chemical potentials', array([-41274.91284571, -38010.4154573 , -44287.92855924]))
('Chem pot progress', array([ 125.94763327, 37.17562632, -66.68879964]))
('Energy progress', 0.4639266160666011)
('Driving force', -0.14875263197609456)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.61285969 0.33333335 0.05380696], NP=0.1406287446351827), CompositionSet(BCC_A2, [ 0.15572171 0.62035949 0.2239188 ], NP=0.8593712553648174)])
('reduced_hessian eigenvalues', array([ 3.60220061e+03, 5.75381856e+03, 7.14726272e+09,
1.28001300e+10, 3.70929722e+10]))
('NEW_L_MULTIPLIERS', array([ -1075.82653898, -3359.9645393 , 7901.37353237, -22329.23712248,
-41274.8293527 , -38010.61291207, -44288.21932413]))
('L_CONSTRAINTS', array([ -2.77555756e-17, -6.02793412e-17, -2.77555756e-17,
0.00000000e+00, 8.44661023e-06, -4.63368767e-06,
-3.81292256e-06]))
('penalty', 10000)
('old_driving_force', -39984.087326293156, 8.4466102312774627e-06)
('sublsum', -0.0055597073123997923)
(1.0, -39984.260953177341, 3.0738386558315511e-09)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.61282391 0.33333358 0.05384251], NP=0.14057695406817972), CompositionSet(BCC_A2, [ 0.15574528 0.62034755 0.22390717], NP=0.8594230459318204)])
('step', array([ -5.36847649e-05, 4.82936948e-07, 5.32018280e-05,
4.15441850e-08, -2.79562350e-07, 2.38018165e-07,
2.35753270e-05, -1.19433025e-05, -1.16320245e-05,
0.00000000e+00, -5.17905670e-05, 5.17905670e-05]))
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('reduced_hessian eigenvalues', array([ 2.83301906e+03, 5.73666830e+03, 1.41617143e+04,
1.00488271e+05, 7.56071210e+07]))
('NEW_L_MULTIPLIERS', array([ -1210.60017545, -3885.13809082, 7639.15742082, -21647.97130302,
-41620.29118612, -37975.65116667, -44152.68777411]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 4.77048956e-17, 5.55111512e-17,
0.00000000e+00, 7.49521789e-09, -7.21698246e-09,
-2.78235407e-10]))
('penalty', 10000)
('old_driving_force', -40012.879142503421, 7.4952178907849998e-09)
('sublsum', -2.9502123237843488e-08)
(1.0, -40012.879292418074, 2.2279400546665329e-13)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.5774721 0.36080969 0.06171822], NP=0.16842172425424407), CompositionSet(BCC_A2, [ 0.14760024 0.62439319 0.22800657], NP=0.8315782757457559)])
('step', array([ -1.24393543e-06, 1.26905264e-06, -2.51172146e-08,
8.73998402e-12, -4.07431944e-08, 4.07344543e-08,
2.64272740e-07, -2.24504493e-07, -3.97682467e-08,
0.00000000e+00, -2.03754286e-07, 2.03754286e-07]))
('conv_angle', 59.843883648999949)
('Site fractions', array([ 8.66206352e-01, 4.22250340e-02, 9.15686141e-02,
3.58125822e-06, 9.97978993e-01, 2.01742606e-03,
1.47600241e-01, 6.24393188e-01, 2.28006571e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.16842172, 0.83157828]))
('Chemical potentials', array([-41620.29118612, -37975.65116667, -44152.68777411]))
('Chem pot progress', array([ 0.01001149, -0.00130075, -0.00324408]))
('Energy progress', 2.5583183742128313e-05)
('Driving force', 1.3766111806035042e-08)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.5774721 0.36080969 0.06171822], NP=0.16842172425424407), CompositionSet(BCC_A2, [ 0.14760024 0.62439319 0.22800657], NP=0.8315782757457559)])
('reduced_hessian eigenvalues', array([ 2.83269708e+03, 5.73560090e+03, 1.41618202e+04,
1.00485719e+05, 7.56068459e+07]))
('NEW_L_MULTIPLIERS', array([ -1210.60017469, -3885.13808806, 7639.15742136, -21647.97130193,
-41620.29118626, -37975.6511658 , -44152.68777639]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 7.80625564e-18, -1.11022302e-16,
0.00000000e+00, 2.22794005e-13, -2.15383267e-13,
-7.46624984e-15]))
('penalty', 10000)
('old_driving_force', -40012.879292418074, 2.2279400546665329e-13)
('sublsum', -1.0037385441154672e-16)
(1.0, -40012.879292422527, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.57747209 0.36080969 0.06171822], NP=0.16842172423770863), CompositionSet(BCC_A2, [ 0.14760024 0.62439319 0.22800657], NP=0.8315782757622914)])
('step', array([ -2.43356172e-11, 2.12631809e-11, 3.07245021e-12,
4.44569761e-15, -2.11629733e-11, 2.11585198e-11,
1.15653673e-11, -6.42442467e-12, -5.14083165e-12,
0.00000000e+00, -1.65354281e-11, 1.65353902e-11]))
('conv_angle', 66.38182906181261)
('Site fractions', array([ 8.66206352e-01, 4.22250340e-02, 9.15686141e-02,
3.58125822e-06, 9.97978993e-01, 2.01742608e-03,
1.47600241e-01, 6.24393188e-01, 2.28006571e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.16842172, 0.83157828]))
('Chemical potentials', array([-41620.29118626, -37975.6511658 , -44152.68777639]))
('Chem pot progress', array([ -1.44005753e-07, 8.67381459e-07, -2.28818681e-06]))
('Energy progress', 7.712515071034431e-10)
('Driving force', 1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.14760024 0.62439319 0.22800657], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14760024 0.62439319 0.22800657], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14760024 0.6243932 0.22800656], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14760024 0.62439319 0.22800657], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14760022 0.62439323 0.22800654], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.14760024 0.62439322 0.22800654], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14760024 0.62439322 0.22800654], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14760024 0.62439319 0.22800657], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14760024 0.62439319 0.22800657], NP=1.0), -1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.5774721 0.36080968 0.06171822], NP=1.0), -2.9103830456733704e-11), (CompositionSet(LAVES_C15, [ 0.57747211 0.36080968 0.06171822], NP=1.0), -1.4551915228366852e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
Removing CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9461.80779721, -25803.36169336, -40553.16873383, -38390.7271282 ,
-44291.26531132]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 3.17197416e-02,
-2.99113130e-02, -1.80842857e-03]))
('penalty', 10000)
('old_driving_force', -39440.567562691496, 0.031719741557313386)
('sublsum', -31.005276475941027)
(1.0, -40089.362453707166, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.58 0.24], NP=1.0)])
('step', array([ -3.17197416e-02, 2.99113130e-02, 1.80842857e-03,
0.00000000e+00, 2.52512446e-18]))
('conv_angle', 41.668154536400856)
('Site fractions', array([ 0.18, 0.58, 0.24, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-40553.16873383, -38390.7271282 , -44291.26531132]))
('Chem pot progress', array([ 1948.00388937, -943.73688858, -60.56167864]))
('Energy progress', -104.52817071449681)
('Driving force', 106.73332745163498)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.58 0.24], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9334.47965243, -25810.95473801, -40531.07049278, -38261.15363668,
-44176.25273221]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -40089.362453707166, 0.0)
('sublsum', 0.0)
(1.0, -40089.362453707166, 0.0)
(0.5, -40089.362453707166, 0.0)
(0.25, -40089.362453707166, 0.0)
(0.125, -40089.362453707166, 0.0)
(0.0625, -40089.362453707166, 0.0)
(0.03125, -40089.362453707166, 0.0)
(0, -40089.362453707166, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.58 0.24], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.18, 0.58, 0.24, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-40531.07049278, -38261.15363668, -44176.25273221]))
('Chem pot progress', array([ 22.09824105, 129.57349151, 115.0125791 ]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.58 0.24], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9334.47965243, -25810.95473801, -40531.07049278, -38261.15363668,
-44176.25273221]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 1000.0)
('old_driving_force', -40089.362453707166, 0.0)
('sublsum', 0.0)
(1.0, -40089.362453707166, 0.0)
(0.5, -40089.362453707166, 0.0)
(0.25, -40089.362453707166, 0.0)
(0.125, -40089.362453707166, 0.0)
(0.0625, -40089.362453707166, 0.0)
(0.03125, -40089.362453707166, 0.0)
(0, -40089.362453707166, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.58 0.24], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.18, 0.58, 0.24, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-40531.07049278, -38261.15363668, -44176.25273221]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.18 0.58 0.24], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.18 0.58 0.24], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.17999999 0.58000002 0.23999999], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.18 0.58 0.24], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.18 0.57999998 0.24000002], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.18 0.58 0.24], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=1.0), -2.9103830456733704e-11)], 'LAVES_C36': [(CompositionSet(LAVES_C36, [ 0.60773462 0.34012814 0.05213725], NP=1.0), 376.43058331475913)], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 20.433103595169086), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 20.433103595169086), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 20.433103595169086), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 20.433103595169086), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 20.433103595169086), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 20.433103595169086), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 20.433103595169086), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 20.433103595169086), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 20.433103595169086), (CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.0), 534.0981308075061)], 'HCP_A3': []})
Adding CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.3416851237559857)
Adding CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)
Adding CompositionSet(BCC_A2, [ 0.17999999 0.58000002 0.23999999], NP=0.658314863036099)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.3416851237559857), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08), CompositionSet(BCC_A2, [ 0.17999999 0.58000002 0.23999999], NP=0.658314863036099)])
('reduced_hessian eigenvalues', array([ -9.59767350e+01, -7.16150195e+01, 1.35829670e-03,
8.81984726e-03, 4.67012045e+00, 3.57420949e+03,
4.27221840e+03, 1.33430266e+04]))
('reduced_hessian modified eigenvalues', array([ 1.35829670e-03, 8.81984726e-03, 4.67012045e+00,
7.16150195e+01, 9.59767350e+01, 3.57420949e+03,
4.27221840e+03, 1.33430266e+04]))
('NEW_L_MULTIPLIERS', array([ 2606.69316252, -7284.92194924, -972.97947424, -2896.3376973 ,
5578.9167729 , -15609.61597259, -42485.4608378 , -38082.86439019,
-43435.07350975]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 8.32667268e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, 0.00000000e+00]))
('penalty', 100.0)
('old_driving_force', -40089.362460761477, 8.3266726846886741e-17)
('sublsum', -66.672802121792785)
(1.0, -39711.923861691379, 0.23422749466907736)
(0.5, -39852.505490480486, 0.11801866640982196)
(0.25, -39953.078145118969, 0.059914252280194272)
(0.125, -40013.358846107971, 0.03086204521538043)
(0.0625, -40047.019042384563, 0.016335941682973507)
(0.03125, -40064.997925402662, 0.0090728899167700442)
(0, -40089.362460761477, 8.3266726846886741e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.3416851237559857), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08), CompositionSet(BCC_A2, [ 0.17999999 0.58000002 0.23999999], NP=0.658314863036099)])
('step', array([-0.04937651, 0.02596721, 0.0234093 , 0. , -0.38489765,
0.27844717, 0.10645048, -0.46340063, 0.23098297, 0.23241766,
-0.05262138, 0.02920685, 0.02341453, 0. , -0.06327432,
0.12483252, -0.0615582 ]))
('conv_angle', 89.19276717928409)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03, 1.79999994e-01, 5.80000018e-01,
2.39999987e-01, 1.00000000e+00]))
('Phase fractions', array([ 3.41685124e-01, 1.32079153e-08, 6.58314863e-01]))
('Chemical potentials', array([-42485.4608378 , -38082.86439019, -43435.07350975]))
('Chem pot progress', array([-896.65530167, -45.97656608, 489.85368308]))
('Energy progress', 0.0)
('Driving force', 70.499478691461263)
Removing CompositionSet(BCC_A2, [ 0.17999999 0.58000002 0.23999999], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -2.27939152e+02, 1.40929840e-03, 8.75896200e-03,
4.66721860e+00, 4.34887720e+03]))
('reduced_hessian modified eigenvalues', array([ 1.40929840e-03, 8.75896200e-03, 4.66721860e+00,
2.27939152e+02, 4.34887720e+03]))
('NEW_L_MULTIPLIERS', array([ 8438.92352684, -23369.47553134, -799.60876775, -2405.72977569,
-42315.85207113, -38176.43319354, -43567.93829929]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 10.0)
('old_driving_force', -40089.362474209513, 2.9613005048112484e-08)
('sublsum', -55.50922901608584)
(1.0, -39954.984422634618, 0.15935615431424907)
(0.5, -39981.473595506315, 0.080582996232407819)
(0.25, -40021.05447730318, 0.0411964171914872)
(0.125, -40049.39244626541, 0.021503127671026894)
(0.0625, -40066.15714674622, 0.011656482910796738)
(0.03125, -40075.288399290272, 0.0067331605306816603)
(0, -40089.362474209513, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04288749, 0.02339495, 0.01949254, 0. , -0.17293277,
0.06545032, 0.10748245, -0.23858852, 0.0810422 , 0.15754632,
-0.10393084, 0.10393084]))
('conv_angle', 88.604543340261813)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42315.85207113, -38176.43319354, -43567.93829929]))
('Chem pot progress', array([ 169.60876667, -93.56880335, -132.86478954]))
('Energy progress', 0.0)
('Driving force', 126.12734208148322)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.84442809e+02, 1.41014423e-03, 8.75135220e-03,
4.67690572e+00, 4.20256557e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41014423e-03, 8.75135220e-03, 4.67690572e+00,
1.84442809e+02, 4.20256557e+03]))
('NEW_L_MULTIPLIERS', array([ 8375.40240265, -23272.01186052, -833.68209227, -2511.74282284,
-42350.78401359, -38160.0720768 , -43532.45589927]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0)
('old_driving_force', -40089.362475265691, 2.9613005048112484e-08)
('sublsum', -57.969762904470613)
(1.0, -39917.573278780917, 0.1831360520886948)
(0.5, -39956.038486957026, 0.092472945119630681)
(0.25, -40006.015971639827, 0.047141391635098631)
(0.125, -40041.085198095047, 0.02447561489283261)
(0.0625, -40061.709448477224, 0.013142726521699595)
(0.03125, -40072.918517450431, 0.0074762823361330891)
(0, -40089.362475265691, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04478855, 0.02443197, 0.02035658, 0. , -0.20025147,
0.07108897, 0.1291625 , -0.2702799 , 0.08895368, 0.18132621,
-0.10853773, 0.10853773]))
('conv_angle', 88.763604582427504)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42350.78401359, -38160.0720768 , -43532.45589927]))
('Chem pot progress', array([-34.93194246, 16.36111673, 35.48240002]))
('Energy progress', 0.0)
('Driving force', 114.40986749289732)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.93864361e+02, 1.41025256e-03, 8.75016014e-03,
4.67635328e+00, 4.23393017e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41025256e-03, 8.75016014e-03, 4.67635328e+00,
1.93864361e+02, 4.23393017e+03]))
('NEW_L_MULTIPLIERS', array([ 8389.52551113, -23293.79431171, -826.18744516, -2488.13208345,
-42342.75309366, -38164.07916559, -43539.58723206]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 0.1)
('old_driving_force', -40089.362475235757, 2.9613005048112484e-08)
('sublsum', -57.420530990808004)
(1.0, -39926.64220605306, 0.17812603219827672)
(0.5, -39961.929226595152, 0.089967935174421643)
(0.25, -40009.444839568954, 0.045888886662494112)
(0.125, -40042.970371282412, 0.02384936240653035)
(0.0625, -40062.718707704989, 0.012829600278548466)
(0.03125, -40073.458001523737, 0.0073197192145575251)
(0, -40089.362475235757, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.0443642 , 0.02420049, 0.02016371, 0. , -0.19321313,
0.06799054, 0.12522259, -0.26236658, 0.08605038, 0.17631619,
-0.1075094 , 0.1075094 ]))
('conv_angle', 88.728131149633882)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42342.75309366, -38164.07916559, -43539.58723206]))
('Chem pot progress', array([ 8.03091993, -4.00708878, -7.13133279]))
('Energy progress', 0.0)
('Driving force', 116.99993335231557)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.91780246e+02, 1.41025874e-03, 8.75009011e-03,
4.67666766e+00, 4.22692271e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41025874e-03, 8.75009011e-03, 4.67666766e+00,
1.91780246e+02, 4.22692271e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.40398327, -23288.97859713, -827.85895658, -2493.35606726,
-42344.49904508, -38163.23164087, -43537.92760168]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 0.01)
('old_driving_force', -40089.362475263049, 2.9613005048112484e-08)
('sublsum', -57.541872797314134)
(1.0, -39924.657350999776, 0.17929398106230141)
(0.5, -39960.614443046506, 0.090551909606433986)
(0.25, -40008.6743169287, 0.046180873878500284)
(0.125, -40042.545970079445, 0.023995356014533436)
(0.0625, -40062.491611017824, 0.012902597082550009)
(0.03125, -40073.336899434857, 0.0073562176165582957)
(0, -40089.362475263049, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04445795, 0.02425163, 0.02020632, 0. , -0.19468604,
0.06846005, 0.12622599, -0.26404664, 0.0865625 , 0.17748414,
-0.10773659, 0.10773659]))
('conv_angle', 88.735926077675231)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.49904508, -38163.23164087, -43537.92760168]))
('Chem pot progress', array([-1.74595142, 0.84752472, 1.65963038]))
('Energy progress', 0.0)
('Driving force', 116.42432895722595)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92243053e+02, 1.41026049e-03, 8.75007016e-03,
4.67661892e+00, 4.22846930e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026049e-03, 8.75007016e-03, 4.67661892e+00,
1.92243053e+02, 4.22846930e+03]))
('NEW_L_MULTIPLIERS', array([ 8387.09533545, -23290.04475286, -827.49049152, -2492.19983448,
-42344.10911969, -38163.42341324, -43538.28620714]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 0.001)
('old_driving_force', -40089.362475259099, 2.9613005048112484e-08)
('sublsum', -57.514995817936892)
(1.0, -39925.096249071263, 0.17904265624854976)
(0.5, -39960.902731198214, 0.090426247199558163)
(0.25, -40008.84278922392, 0.046118042675062372)
(0.125, -40042.638700500196, 0.02396394041281448)
(0.0625, -40062.541248666246, 0.012886889281690531)
(0.03125, -40073.363402985378, 0.0073483637161285576)
(0, -40089.362475259099, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04443718, 0.0242403 , 0.02019688, 0. , -0.1943528 ,
0.0683343 , 0.1260185 , -0.26366893, 0.08643611, 0.17723282,
-0.10768627, 0.10768627]))
('conv_angle', 88.734192753065557)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.10911969, -38163.42341324, -43538.28620714]))
('Chem pot progress', array([ 0.38992538, -0.19177237, -0.35860546]))
('Energy progress', 0.0)
('Driving force', 116.55143567713094)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92140808e+02, 1.41026044e-03, 8.75007076e-03,
4.67663198e+00, 4.22812651e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026044e-03, 8.75007076e-03, 4.67663198e+00,
1.92140808e+02, 4.22812651e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.94230449, -23289.80870131, -827.57224353, -2492.45585716,
-42344.19507716, -38163.38139897, -43538.20586718]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 0.0001)
('old_driving_force', -40089.362475260183, 2.9613005048112484e-08)
('sublsum', -57.52094492489779)
(1.0, -39924.998849029173, 0.17909913611201478)
(0.5, -39960.838506761189, 0.090454487131290673)
(0.25, -40008.805208951431, 0.046132162640928627)
(0.125, -40042.618009601611, 0.023971000395747608)
(0.0625, -40062.530175276588, 0.012890419273157094)
(0.03125, -40073.357494283242, 0.0073501287118618395)
(0, -40089.362475260183, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444178, 0.02424281, 0.02019897, 0. , -0.19442588,
0.06835981, 0.12606607, -0.26375201, 0.08646271, 0.1772893 ,
-0.10769741, 0.10769741]))
('conv_angle', 88.734575583039813)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.19507716, -38163.38139897, -43538.20586718]))
('Chem pot progress', array([-0.08595747, 0.04201427, 0.08033996]))
('Energy progress', 0.0)
('Driving force', 116.52325815593213)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92163469e+02, 1.41026049e-03, 8.75007022e-03,
4.67662933e+00, 4.22820236e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026049e-03, 8.75007022e-03, 4.67662933e+00,
1.92163469e+02, 4.22820236e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97618433, -23289.86095445, -827.55416518, -2492.39918584,
-42344.17600875, -38163.39074716, -43538.22355051]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1e-05)
('old_driving_force', -40089.362475259972, 2.9613005048112484e-08)
('sublsum', -57.519627833585787)
(1.0, -39925.020375513712, 0.17908672554025015)
(0.5, -39960.852675784889, 0.09044828184540836)
(0.25, -40008.813494957409, 0.04612905999798747)
(0.125, -40042.622571130945, 0.023969449074277029)
(0.0625, -40062.532616776625, 0.012889643612421805)
(0.03125, -40073.358797464425, 0.0073497408814941941)
(0, -40089.362475259972, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444076, 0.02424226, 0.02019851, 0. , -0.19440963,
0.06835391, 0.12605572, -0.26373356, 0.08645668, 0.17727689,
-0.10769494, 0.10769494]))
('conv_angle', 88.734490732261065)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17600875, -38163.39074716, -43538.22355051]))
('Chem pot progress', array([ 0.01906842, -0.00934819, -0.01768333]))
('Energy progress', 0.0)
('Driving force', 116.52949179110146)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92158455e+02, 1.41026048e-03, 8.75007029e-03,
4.67662994e+00, 4.22818557e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007029e-03, 4.67662994e+00,
1.92158455e+02, 4.22818557e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.96868413, -23289.84938608, -827.55816955, -2492.41173263,
-42344.18022594, -38163.38868269, -43538.21962475]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-06)
('old_driving_force', -40089.362475260015, 2.9613005048112484e-08)
('sublsum', -57.519919406146798)
(1.0, -39925.015605314329, 0.17908948315264814)
(0.5, -39960.849533351553, 0.090449660651607353)
(0.25, -40008.811656771046, 0.046129749401086967)
(0.125, -40042.621559134925, 0.023969793775826777)
(0.0625, -40062.532075146912, 0.012889815963196679)
(0.03125, -40073.358508406673, 0.0073498270568816311)
(0, -40089.362475260015, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444099, 0.02424238, 0.02019861, 0. , -0.19441322,
0.06835519, 0.12605803, -0.26373764, 0.086458 , 0.17727965,
-0.10769549, 0.10769549]))
('conv_angle', 88.73450950576094)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.18022594, -38163.38868269, -43538.21962475]))
('Chem pot progress', array([-0.00421719, 0.00206448, 0.00392576]))
('Energy progress', 0.0)
('Driving force', 116.52811130863847)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159565e+02, 1.41026048e-03, 8.75007027e-03,
4.67662981e+00, 4.22818928e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007027e-03, 4.67662981e+00,
1.92159565e+02, 4.22818928e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97034455, -23289.85194704, -827.55728329, -2492.4089551 ,
-42344.17929188, -38163.38914026, -43538.22049266]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-07)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519854856923416)
(1.0, -39925.016660832654, 0.17908887372509888)
(0.5, -39960.850228422925, 0.090449355937832723)
(0.25, -40008.812063306235, 0.046129597044199652)
(0.125, -40042.621782943286, 0.02396971759738312)
(0.0625, -40062.532194934131, 0.012889777873974851)
(0.03125, -40073.358572339399, 0.0073498080122707168)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444094, 0.02424235, 0.02019859, 0. , -0.19441243,
0.06835491, 0.12605752, -0.26373674, 0.0864577 , 0.17727904,
-0.10769536, 0.10769536]))
('conv_angle', 88.734505348468815)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17929188, -38163.38914026, -43538.22049266]))
('Chem pot progress', array([ 0.00093406, -0.00045758, -0.00086791]))
('Energy progress', 0.0)
('Driving force', 116.52841686978354)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159320e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818846e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159320e+02, 4.22818846e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.96997697, -23289.85138009, -827.55747952, -2492.40957001,
-42344.17949862, -38163.38903902, -43538.22030039]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-08)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.51986914682881)
(1.0, -39925.016427066825, 0.17908900878582637)
(0.5, -39960.850074452566, 0.090449423468196469)
(0.25, -40008.811973246033, 0.046129630809381525)
(0.125, -40042.621733362314, 0.023969734479974057)
(0.0625, -40062.532168397716, 0.012889786315270319)
(0.03125, -40073.35855817698, 0.0073498122329184509)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.1944126 ,
0.06835497, 0.12605764, -0.26373694, 0.08645777, 0.17727917,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506268701296)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17949862, -38163.38903902, -43538.22030039]))
('Chem pot progress', array([-0.00020673, 0.00010124, 0.00019226]))
('Energy progress', 0.0)
('Driving force', 116.52834921883186)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159374e+02, 1.41026048e-03, 8.75007028e-03,
4.67662983e+00, 4.22818864e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662983e+00,
1.92159374e+02, 4.22818864e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97005834, -23289.8515056 , -827.55743608, -2492.40943388,
-42344.17945285, -38163.38906144, -43538.22034294]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-09)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519865983309671)
(1.0, -39925.016478834877, 0.17908897887606393)
(0.5, -39960.850108550294, 0.090449408513315246)
(0.25, -40008.811993190204, 0.046129623331940914)
(0.125, -40042.62174434209, 0.023969730741253751)
(0.0625, -40062.532174274224, 0.012889784445910166)
(0.03125, -40073.358561313231, 0.0073498112982383745)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441256,
0.06835495, 0.12605761, -0.26373689, 0.08645775, 0.17727914,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506064956889)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17945285, -38163.38906144, -43538.22034294]))
('Chem pot progress', array([ 4.57721326e-05, -2.24189498e-05, -4.25501275e-05]))
('Energy progress', 0.0)
('Driving force', 116.52836419486994)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159362e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818860e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159362e+02, 4.22818860e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004033, -23289.85147781, -827.5574457 , -2492.40946402,
-42344.17946298, -38163.38905648, -43538.22033352]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-10)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866683651721)
(1.0, -39925.016467341928, 0.17908898552718383)
(0.5, -39960.850100974909, 0.090449411838875199)
(0.25, -40008.811988759357, 0.04612962499472089)
(0.125, -40042.621741903, 0.023969731572643739)
(0.0625, -40062.532172968909, 0.01288978486160516)
(0.03125, -40073.358560616689, 0.0073498115060858724)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605762, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506110085817)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946298, -38163.38905648, -43538.22033352]))
('Chem pot progress', array([ -1.01325131e-05, 4.96246503e-06, 9.42124461e-06]))
('Energy progress', 0.0)
('Driving force', 116.52836087939068)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159365e+02, 1.41026048e-03, 8.75007028e-03,
4.67662983e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662983e+00,
1.92159365e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004431, -23289.85148396, -827.55744357, -2492.40945734,
-42344.17946073, -38163.38905758, -43538.22033561]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-11)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.51986652861018)
(1.0, -39925.016469888302, 0.17908898405408349)
(0.5, -39960.850102654025, 0.090449411102325031)
(0.25, -40008.811989740971, 0.046129624626445806)
(0.125, -40042.621742443218, 0.023969731388506197)
(0.0625, -40062.532173257998, 0.012889784769536389)
(0.03125, -40073.358560770954, 0.007349811460051486)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506100081106)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946073, -38163.38905758, -43538.22033561]))
('Chem pot progress', array([ 2.24318501e-06, -1.09866960e-06, -2.08551501e-06]))
('Energy progress', 0.0)
('Driving force', 116.52836161336745)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004343, -23289.8514826 , -827.55744404, -2492.40945882,
-42344.17946123, -38163.38905734, -43538.22033515]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-12)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866562933252)
(1.0, -39925.016469363873, 0.17908898434261603)
(0.5, -39960.850102313547, 0.090449411246591296)
(0.25, -40008.811989542854, 0.046129624698578939)
(0.125, -40042.621742334188, 0.023969731424572763)
(0.0625, -40062.532173199543, 0.012889784787569672)
(0.03125, -40073.358560739638, 0.0073498114690681276)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506102291832)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946123, -38163.38905734, -43538.22033515]))
('Chem pot progress', array([ -4.96584107e-07, 2.43220711e-07, 4.61703166e-07]))
('Energy progress', 0.0)
('Driving force', 116.52836145087349)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004363, -23289.8514829 , -827.55744394, -2492.40945849,
-42344.17946112, -38163.38905739, -43538.22033525]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-13)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866555333749)
(1.0, -39925.01646946332, 0.1790889842947575)
(0.5, -39960.85010237572, 0.090449411222662035)
(0.25, -40008.811989578542, 0.046129624686614308)
(0.125, -40042.621742353833, 0.023969731418590448)
(0.0625, -40062.532173210129, 0.012889784784578515)
(0.03125, -40073.358560745372, 0.0073498114675725496)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101803049)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946112, -38163.38905739, -43538.22033525]))
('Chem pot progress', array([ 1.09946996e-07, -5.38493623e-08, -1.02227204e-07]))
('Energy progress', 0.0)
('Driving force', 116.5283614868531)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004358, -23289.85148284, -827.55744396, -2492.40945857,
-42344.17946115, -38163.38905738, -43538.22033522]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-14)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866557016407)
(1.0, -39925.016469419497, 0.1790889843249022)
(0.5, -39960.850102344135, 0.090449411237734381)
(0.25, -40008.811989560279, 0.046129624694150481)
(0.125, -40042.621742343938, 0.023969731422358535)
(0.0625, -40062.532173204876, 0.012889784786462558)
(0.03125, -40073.358560742599, 0.0073498114685145704)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101927991)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946115, -38163.38905738, -43538.22033522]))
('Chem pot progress', array([ -2.43453542e-08, 1.19252945e-08, 2.26427801e-08]))
('Energy progress', 0.0)
('Driving force', 116.52836147888593)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1e-15)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556644445)
(1.0, -39925.016469436865, 0.17908898431111936)
(0.5, -39960.850102357297, 0.090449411230842963)
(0.25, -40008.811989568043, 0.046129624690704772)
(0.125, -40042.621742348143, 0.02396973142063568)
(0.0625, -40062.532173207102, 0.012889784785601131)
(0.03125, -40073.358560743764, 0.0073498114680838576)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.73450610189731)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 5.37693268e-09, -2.64117261e-09, -5.00585884e-09]))
('Energy progress', 0.0)
('Driving force', 116.52836148065398)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000001e-16)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556726463)
(1.0, -39925.016469420785, 0.17908898432762577)
(0.5, -39960.850102345314, 0.090449411239096167)
(0.25, -40008.811989559916, 0.046129624694831374)
(0.125, -40042.621742343494, 0.023969731422698981)
(0.0625, -40062.532173204643, 0.012889784786632781)
(0.03125, -40073.358560742498, 0.0073498114685996829)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101885842)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ -1.19325705e-09, 5.89352567e-10, 1.10594556e-09]))
('Energy progress', 0.0)
('Driving force', 116.52836148026108)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1e-17)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556708507)
(1.0, -39925.016469442526, 0.17908898430520995)
(0.5, -39960.850102361917, 0.090449411227888257)
(0.25, -40008.811989570924, 0.046129624689227419)
(0.125, -40042.621742349729, 0.023969731419897004)
(0.0625, -40062.532173207925, 0.012889784785231792)
(0.03125, -40073.358560744193, 0.0073498114678991876)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101901673)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 2.76486389e-10, -1.30967237e-10, -2.47382559e-10]))
('Energy progress', 0.0)
('Driving force', 116.52836148034112)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1e-18)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556711911)
(1.0, -39925.016469424474, 0.17908898432313408)
(0.5, -39960.85010234778, 0.090449411236850324)
(0.25, -40008.811989561975, 0.046129624693708453)
(0.125, -40042.621742344731, 0.02396973142213752)
(0.0625, -40062.532173205276, 0.012889784786352051)
(0.03125, -40073.358560742832, 0.0073498114684593177)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101896343)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ -5.82076609e-11, 2.18278728e-11, 4.36557457e-11]))
('Energy progress', 0.0)
('Driving force', 116.52836148032657)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000001e-19)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710895)
(1.0, -39925.016469436756, 0.17908898431191075)
(0.5, -39960.850102357792, 0.090449411231238661)
(0.25, -40008.811989567846, 0.046129624690902621)
(0.125, -40042.62174234791, 0.023969731420734604)
(0.0625, -40062.532173206935, 0.012889784785650593)
(0.03125, -40073.358560743676, 0.0073498114681085878)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101889025)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ -7.27595761e-12, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000001e-20)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000001e-21)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1e-22)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000001e-23)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000001e-24)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-25)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-26)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-27)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-28)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-29)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-30)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-31)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-32)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-33)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-34)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-35)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-36)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-37)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-38)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-39)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-40)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-41)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-42)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-43)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-44)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-45)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-46)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000002e-47)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-48)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-49)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-50)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-51)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-52)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-53)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000003e-54)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-55)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-56)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-57)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-58)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-59)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-60)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000006e-61)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-62)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-63)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-64)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000006e-65)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-66)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-67)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-68)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-69)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-70)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-71)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-72)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-73)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-74)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000006e-75)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-76)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-77)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-78)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000004e-79)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-80)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-81)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-82)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000006e-83)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000006e-84)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000005e-85)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000006e-86)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000006e-87)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000006e-88)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000006e-89)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000006e-90)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000007e-91)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000007e-92)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-93)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-94)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-95)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000007e-96)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000007e-97)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-98)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-99)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-100)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-101)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-102)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-103)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-104)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-105)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-106)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-107)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-108)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-109)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-110)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-111)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-112)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-113)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-114)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-115)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-116)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-117)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-118)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-119)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-120)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-121)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-122)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-123)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-124)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-125)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-126)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-127)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-128)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-129)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-130)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-131)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-132)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000008e-133)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-134)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-135)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-136)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-137)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-138)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-139)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-140)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000009e-141)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-142)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-143)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-144)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-145)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-146)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-147)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-148)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-149)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-150)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-151)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-152)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-153)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-154)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-155)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-156)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-157)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-158)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-159)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-160)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-161)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-162)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-163)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-164)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-165)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-166)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-167)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-168)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-169)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-170)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-171)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-172)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-173)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-174)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-175)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-176)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-177)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-178)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-179)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-180)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-181)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-182)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000001e-183)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-184)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-185)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000011e-186)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-187)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-188)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-189)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-190)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-191)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-192)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-193)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-194)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-195)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-196)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-197)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-198)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-199)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-200)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-201)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-202)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-203)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000012e-204)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-205)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-206)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-207)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-208)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-209)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-210)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-211)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-212)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-213)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-214)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-215)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-216)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-217)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-218)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000013e-219)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-220)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-221)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-222)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000015e-223)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000015e-224)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000015e-225)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000014e-226)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000015e-227)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000015e-228)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000015e-229)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000015e-230)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000016e-231)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000016e-232)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000016e-233)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000016e-234)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000017e-235)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000018e-236)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000018e-237)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000017e-238)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000018e-239)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000018e-240)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000018e-241)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000018e-242)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000018e-243)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000019e-244)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-245)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-246)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-247)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-248)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000019e-249)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000019e-250)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-251)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-252)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-253)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-254)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-255)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-256)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-257)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-258)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-259)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-260)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-261)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-262)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-263)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-264)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-265)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-266)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-267)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-268)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-269)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-270)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-271)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-272)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-273)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-274)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-275)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.000000000000002e-276)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-277)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-278)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-279)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-280)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-281)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-282)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-283)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-284)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000021e-285)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-286)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-287)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000022e-288)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000023e-289)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000023e-290)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000023e-291)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000023e-292)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000023e-293)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710781)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('reduced_hessian eigenvalues', array([ -1.92159364e+02, 1.41026048e-03, 8.75007028e-03,
4.67662984e+00, 4.22818861e+03]))
('reduced_hessian modified eigenvalues', array([ 1.41026048e-03, 8.75007028e-03, 4.67662984e+00,
1.92159364e+02, 4.22818861e+03]))
('NEW_L_MULTIPLIERS', array([ 8386.97004359, -23289.85148285, -827.55744395, -2492.40945855,
-42344.17946114, -38163.38905738, -43538.22033523]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 8.32667268e-17,
1.60461922e-17, 6.12124046e-10, -2.96130050e-08,
2.90008810e-08]))
('penalty', 1.0000000000000023e-294)
('old_driving_force', -40089.362475260008, 2.9613005048112484e-08)
('sublsum', -57.519866556710852)
(1.0, -39925.01646948015, 0.17908898427053241)
(0.5, -39960.85010239236, 0.090449411210549488)
(0.25, -40008.81198958902, 0.046129624680558035)
(0.125, -40042.621742359574, 0.023969731415562311)
(0.0625, -40062.532173213061, 0.012889784783064446)
(0.03125, -40073.358560746819, 0.0073498114668155146)
(0, -40089.362475260008, 2.9613005048112484e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.18 0.57999997 0.24000003], NP=0.9999999867920847), CompositionSet(LAVES_C15, [ 0.59265416 0.35489908 0.05244676], NP=1.320791532217306e-08)])
('step', array([-0.04444095, 0.02424236, 0.02019859, 0. , -0.19441257,
0.06835496, 0.12605761, -0.2637369 , 0.08645776, 0.17727915,
-0.10769539, 0.10769539]))
('conv_angle', 88.734506101883113)
('Site fractions', array([ 1.79999995e-01, 5.79999973e-01, 2.40000031e-01,
1.00000000e+00, 8.88979385e-01, 3.32553891e-02,
7.77652259e-02, 3.70563356e-06, 9.98186456e-01,
1.80983815e-03]))
('Phase fractions', array([ 9.99999987e-01, 1.32079153e-08]))
('Chemical potentials', array([-42344.17946114, -38163.38905738, -43538.22033523]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 116.52836148033384)
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.5800000000000001)), ('X_V', array(0.24))])
Removing CompositionSet(BCC_A2, [ 1.00000000e-12 5.55555556e-01 4.44444444e-01], NP=nan)
Removing CompositionSet(BCC_A2, [ 1.00000000e-12 6.66666667e-01 3.33333333e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9429.71827663, -26627.6141352 , -48311.71086275, -38660.61783124,
-41433.04969449]))
('L_CONSTRAINTS', array([ 1.66533454e-16, 0.00000000e+00, 2.45825867e-02,
-5.77800321e-02, 3.31974454e-02]))
('penalty', 10000)
('old_driving_force', -39102.058230732124, 0.057780032148197158)
('sublsum', -55.031000739826354)
(1.0, -40280.999892934531, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.06 0.5 0.44], NP=1.0)])
('step', array([ -2.45825867e-02, 5.77800321e-02, -3.31974454e-02,
0.00000000e+00, 1.19534113e-16]))
('conv_angle', 61.415965192363224)
('Site fractions', array([ 0.06, 0.5 , 0.44, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-48311.71086275, -38660.61783124, -41433.04969449]))
('Chem pot progress', array([ 3960.74477063, -981.54176477, -217.34527646]))
('Energy progress', -170.20457776480907)
('Driving force', 178.55354002772219)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.06 0.5 0.44], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9202.50335394, -26659.5187766 , -48548.01570582, -38432.62316997,
-41254.1076491 ]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, -6.93889390e-18,
-5.55111512e-17, -5.55111512e-17]))
('penalty', 10000)
('old_driving_force', -40280.999892934531, 5.5511151231257827e-17)
('sublsum', -8.7191218132268009e-28)
(1.0, -40280.999892934517, 5.5511151231257827e-17)
(0.5, -40280.999892934531, 5.5511151231257827e-17)
(0.25, -40280.999892934531, 5.5511151231257827e-17)
(0.125, -40280.999892934531, 5.5511151231257827e-17)
(0.0625, -40280.999892934531, 5.5511151231257827e-17)
(0.03125, -40280.999892934531, 5.5511151231257827e-17)
(0, -40280.999892934531, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.06 0.5 0.44], NP=1.0)])
('step', array([ 3.19189120e-18, 2.42861287e-17, 2.80331314e-17,
0.00000000e+00, 6.24500451e-17]))
('conv_angle', 39.013756124754941)
('Site fractions', array([ 0.06, 0.5 , 0.44, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-48548.01570582, -38432.62316997, -41254.1076491 ]))
('Chem pot progress', array([-236.30484307, 227.99466128, 178.94204539]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.06 0.5 0.44], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9202.50335394, -26659.5187766 , -48548.01570582, -38432.62316997,
-41254.1076491 ]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, -6.93889390e-18,
-5.55111512e-17, -5.55111512e-17]))
('penalty', 1000.0)
('old_driving_force', -40280.999892934531, 5.5511151231257827e-17)
('sublsum', -8.7191218132268009e-28)
(1.0, -40280.999892934517, 5.5511151231257827e-17)
(0.5, -40280.999892934531, 5.5511151231257827e-17)
(0.25, -40280.999892934531, 5.5511151231257827e-17)
(0.125, -40280.999892934531, 5.5511151231257827e-17)
(0.0625, -40280.999892934531, 5.5511151231257827e-17)
(0.03125, -40280.999892934531, 5.5511151231257827e-17)
(0, -40280.999892934531, 5.5511151231257827e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.06 0.5 0.44], NP=1.0)])
('step', array([ 3.19189120e-18, 2.42861287e-17, 2.80331314e-17,
0.00000000e+00, 6.24500451e-17]))
('conv_angle', 39.013756124754941)
('Site fractions', array([ 0.06, 0.5 , 0.44, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-48548.01570582, -38432.62316997, -41254.1076491 ]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.06 0.49999999 0.44000002], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.05999999 0.50000001 0.44 ], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.06 0.50000001 0.43999999], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.05999999 0.5 0.44 ], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.06 0.49999999 0.44000001], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.06 0.5 0.44], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.06 0.50000001 0.44 ], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.06 0.5 0.44], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.01298611 0.33932843 0.64768546], NP=nan)
Removing CompositionSet(BCC_A2, [ 1.00000000e-12 5.55555556e-01 4.44444444e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9480.77650424, -26914.8312469 , -51994.83212198, -38947.30498994,
-41088.72184543]))
('L_CONSTRAINTS', array([ 1.66533454e-16, 0.00000000e+00, 6.45825867e-02,
-5.77800321e-02, -6.80255456e-03]))
('penalty', 10000)
('old_driving_force', -38467.217678946799, 0.064582586709857892)
('sublsum', -341.21906405166396)
(1.0, -39845.719815653763, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0)])
('step', array([ -6.45825867e-02, 5.77800321e-02, 6.80255456e-03,
0.00000000e+00, 5.54847596e-17]))
('conv_angle', 42.129176545622769)
('Site fractions', array([ 0.02, 0.5 , 0.48, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-51994.83212198, -38947.30498994, -41088.72184543]))
('Chem pot progress', array([ 1524.2425466 , -561.87512215, -755.95967905]))
('Energy progress', -222.89754852666374)
('Driving force', 390.41580755871109)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8994.71452844, -26946.39574592, -56559.24231873, -38426.39160491,
-40627.78993089]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -39845.719815653763, 0.0)
('sublsum', 0.0)
(1.0, -39845.719815653763, 0.0)
(0.5, -39845.719815653763, 0.0)
(0.25, -39845.719815653763, 0.0)
(0.125, -39845.719815653763, 0.0)
(0.0625, -39845.719815653763, 0.0)
(0.03125, -39845.719815653763, 0.0)
(0, -39845.719815653763, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.02, 0.5 , 0.48, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-56559.24231873, -38426.39160491, -40627.78993089]))
('Chem pot progress', array([-4564.41019675, 520.91338503, 460.93191454]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8994.71452844, -26946.39574592, -56559.24231873, -38426.39160491,
-40627.78993089]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 1000.0)
('old_driving_force', -39845.719815653763, 0.0)
('sublsum', 0.0)
(1.0, -39845.719815653763, 0.0)
(0.5, -39845.719815653763, 0.0)
(0.25, -39845.719815653763, 0.0)
(0.125, -39845.719815653763, 0.0)
(0.0625, -39845.719815653763, 0.0)
(0.03125, -39845.719815653763, 0.0)
(0, -39845.719815653763, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.02, 0.5 , 0.48, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-56559.24231873, -38426.39160491, -40627.78993089]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.02 0.5 0.48], NP=1.0), 1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 1.00000000e-12 5.55555556e-01 4.44444444e-01], NP=nan)
Removing CompositionSet(BCC_A2, [ 1.00000000e-12 6.66666667e-01 3.33333333e-01], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.08458259 0.44221997 0.47319745], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9565.82222039, -26795.95793481, -51620.17904222, -38736.39458308,
-41345.08377342]))
('L_CONSTRAINTS', array([ 1.66533454e-16, 0.00000000e+00, 6.45825867e-02,
-9.77800321e-02, 3.31974454e-02]))
('penalty', 10000)
('old_driving_force', -37712.674773490085, 0.097780032148197193)
('sublsum', -332.40281559814883)
(1.0, -39746.042154172719, 1.1102230246251565e-16)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0)])
('step', array([ -6.45825867e-02, 9.77800321e-02, -3.31974454e-02,
0.00000000e+00, 1.14255751e-16]))
('conv_angle', 55.553230350369084)
('Site fractions', array([ 0.02, 0.54, 0.44, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-51620.17904222, -38736.39458308, -41345.08377342]))
('Chem pot progress', array([ 652.27659116, -1057.31851661, -129.37935539]))
('Energy progress', -218.98202167916315)
('Driving force', 395.85136183993018)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9053.55372685, -26882.33464146, -56247.37696546, -38161.19115783,
-40941.02588553]))
('L_CONSTRAINTS', array([ -1.11022302e-16, 0.00000000e+00, -1.38777878e-17,
-1.11022302e-16, -5.55111512e-17]))
('penalty', 10000)
('old_driving_force', -39746.042154172719, 1.1102230246251565e-16)
('sublsum', -5.3516323810193448e-28)
(1.0, -39746.042154172726, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0)])
('step', array([ 1.24900090e-17, 7.35522754e-17, 2.49800181e-17,
0.00000000e+00, 6.93889390e-17]))
('conv_angle', 45.481331259238587)
('Site fractions', array([ 0.02, 0.54, 0.44, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-56247.37696546, -38161.19115783, -40941.02588553]))
('Chem pot progress', array([-4627.19792324, 575.20342525, 404.05788789]))
('Energy progress', -1.4551915228366852e-11)
('Driving force', -1.4551915228366852e-11)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 9053.55372685, -26882.33464146, -56247.37696546, -38161.19115783,
-40941.02588553]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, -5.55111512e-17]))
('penalty', 10000)
('old_driving_force', -39746.042154172726, 5.5511151231257827e-17)
('sublsum', -4.4428646182047379e-28)
(1.0, -39746.042154172741, 5.5511151231257827e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0)])
('step', array([ -1.11022302e-18, -2.99760217e-17, 3.10862447e-17,
0.00000000e+00, 5.55111512e-17]))
('conv_angle', 52.131926982413567)
('Site fractions', array([ 0.02, 0.54, 0.44, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-56247.37696546, -38161.19115783, -40941.02588553]))
('Chem pot progress', array([ 0.00000000e+00, -2.18278728e-11, 0.00000000e+00]))
('Energy progress', -1.4551915228366852e-11)
('Driving force', -1.4551915228366852e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.02 0.54 0.44], NP=1.0), 1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.21171974 0.55008869 0.23819157], NP=nan)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59259259 0.33333333 0.07407407], NP=0.0314909731060946), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.9685090268939054)])
('reduced_hessian eigenvalues', array([ 6.18483624e+02, 4.21316966e+03, 1.76024786e+13,
5.28070812e+13, 7.03877577e+13]))
('NEW_L_MULTIPLIERS', array([ -795.35085229, -2591.63724942, 7810.46204195, -23578.3073088 ,
-41814.06597794, -37381.66745919, -46584.9045473 ]))
('L_CONSTRAINTS', array([ -1.52655666e-16, -1.99922887e-16, -1.38777878e-17,
0.00000000e+00, -4.97231687e-03, 1.78283930e-02,
-1.28560761e-02]))
('penalty', 10000)
('old_driving_force', -38824.614313495404, 0.01782839299426231)
('sublsum', -74.691250207022108)
(1.0, -39039.613757879706, 0.0069131966944146472)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 3.48016676e-11], NP=0.10697044561893308), CompositionSet(BCC_A2, [ 0.12944652 0.74286156 0.12769192], NP=0.8930295543810671)])
('step', array([ 1.63198740e-01, 1.19193130e-10, -1.63198740e-01,
7.21175525e-11, -1.73522357e-10, 1.01405003e-10,
-3.20040843e-02, 1.25313462e-02, 1.94727381e-02,
0.00000000e+00, 7.54794725e-02, -7.54794725e-02]))
('conv_angle', 86.526337610952339)
('Site fractions', array([ 1.00000000e+00, 1.20193130e-10, 1.00000000e-12,
7.31175525e-11, 1.00000000e+00, 1.02405003e-10,
1.29446518e-01, 7.42861557e-01, 1.27691925e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.10697045, 0.89302955]))
('Chemical potentials', array([-41814.06597794, -37381.66745919, -46584.9045473 ]))
('Chem pot progress', array([ -421.5274079 , 215.92047629, -1716.57286793]))
('Energy progress', -0.43261730787344277)
('Driving force', 106.00995015018998)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 3.48016676e-11], NP=0.10697044561893308), CompositionSet(BCC_A2, [ 0.12944652 0.74286156 0.12769192], NP=0.8930295543810671)])
('reduced_hessian eigenvalues', array([ 7.44935444e+03, 9.68436700e+11, 2.13623598e+12,
3.07091057e+12, 2.38421273e+14]))
('NEW_L_MULTIPLIERS', array([ -531.12131797, -1664.60501224, 8110.3902184 , -24499.74215213,
-40999.7401779 , -37385.11407009, -46984.43926042]))
('L_CONSTRAINTS', array([ 1.21193130e-10, 2.95485030e-17, 0.00000000e+00,
0.00000000e+00, 6.91319669e-03, -9.45859400e-04,
-5.96733729e-03]))
('penalty', 10000)
('old_driving_force', -39047.630770740667, 0.0069131966944146472)
('sublsum', -13.345702324279667)
(1.0, -39179.144796587359, 0.00069684953667714655)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333334e-01 3.79174588e-10], NP=0.06681685286558264), CompositionSet(BCC_A2, [ 0.14586045 0.72550696 0.1286326 ], NP=0.9331831471376616)])
('step', array([ -1.59415992e-09, 1.45079037e-09, 2.21764199e-11,
4.49232378e-10, -1.43799833e-09, 9.88765922e-10,
1.64139276e-02, -1.73545994e-02, 9.40671783e-04,
0.00000000e+00, -4.01535928e-02, 4.01535928e-02]))
('conv_angle', 89.30446895872295)
('Site fractions', array([ 9.99999998e-01, 1.57098350e-09, 2.31764199e-11,
5.22349930e-10, 9.99999998e-01, 1.09117093e-09,
1.45860446e-01, 7.25506958e-01, 1.28632597e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.06681685, 0.93318315]))
('Chemical potentials', array([-40999.7401779 , -37385.11407009, -46984.43926042]))
('Chem pot progress', array([ 814.32580004, -3.4466109 , -399.53471312]))
('Energy progress', -42.225771831406746)
('Driving force', -5.4159950195389683)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666666e-01 3.33333334e-01 3.79174588e-10], NP=0.06681685286558264), CompositionSet(BCC_A2, [ 0.14586045 0.72550696 0.1286326 ], NP=0.9331831471376616)])
('reduced_hessian eigenvalues', array([ 6.16330399e+03, 6.31460672e+10, 1.02336140e+11,
2.41804506e+11, 9.31999379e+12]))
('NEW_L_MULTIPLIERS', array([ -483.13995035, -1578.50153114, 8139.02996073, -24580.5300409 ,
-40996.7145772 , -37391.17311857, -46999.38361136]))
('L_CONSTRAINTS', array([ 3.98650339e-18, 1.04792134e-16, -2.77555756e-17,
0.00000000e+00, 6.59078202e-04, -6.96849537e-04,
3.77713379e-05]))
('penalty', 10000)
('old_driving_force', -39179.150448471824, 0.00069684953667714655)
('sublsum', -0.082786931245101766)
(1.0, -39193.04460431826, 4.2140624864905885e-06)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666650e-01 3.33333345e-01 5.22173288e-09], NP=0.06336434535140269), CompositionSet(BCC_A2, [ 0.14708101 0.72480277 0.12811622], NP=0.9366356546485973)])
('step', array([ -2.55333251e-08, 2.50596717e-08, 4.73653463e-10,
3.86585793e-09, -1.74462260e-08, 1.35803679e-08,
1.22056452e-03, -7.04184998e-04, -5.16379520e-04,
0.00000000e+00, -3.45250751e-03, 3.45250751e-03]))
('conv_angle', 89.89960772456422)
('Site fractions', array([ 9.99999973e-01, 2.66306552e-08, 4.96829883e-10,
4.38820786e-09, 9.99999981e-01, 1.46715389e-08,
1.47081010e-01, 7.24802773e-01, 1.28116217e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.06336435, 0.93663565]))
('Chemical potentials', array([-40996.7145772 , -37391.17311857, -46999.38361136]))
('Chem pot progress', array([ 3.0256007 , -6.05904849, -14.94435094]))
('Energy progress', 2.6997382793560973)
('Driving force', 0.02695469375612447)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666650e-01 3.33333345e-01 5.22173288e-09], NP=0.06336434535140269), CompositionSet(BCC_A2, [ 0.14708101 0.72480277 0.12811622], NP=0.9366356546485973)])
('reduced_hessian eigenvalues', array([ 6.10052602e+03, 4.77324410e+09, 5.72042657e+09,
2.54713871e+10, 4.12555371e+11]))
('NEW_L_MULTIPLIERS', array([ -483.08340897, -1578.35903487, 8139.03572181, -24580.64613895,
-40996.79096944, -37391.11032244, -46999.42671753]))
('L_CONSTRAINTS', array([ 1.27587999e-17, -5.32532592e-18, -2.77555756e-17,
0.00000000e+00, 4.21406249e-06, -2.43124159e-06,
-1.78282089e-06]))
('penalty', 10000)
('old_driving_force', -39193.04460392052, 4.2140624864905885e-06)
('sublsum', -0.0019213678643721199)
(1.0, -39193.130538663514, 6.1341487445076837e-12)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 6.66666404e-01 3.33333533e-01 6.28170813e-08], NP=0.06335831099929616), CompositionSet(BCC_A2, [ 0.14707988 0.72480283 0.12811729], NP=0.936641689000704)])
('step', array([ -3.81729504e-07, 3.72539625e-07, 9.18987956e-09,
2.49039171e-08, -1.79310203e-07, 1.54406286e-07,
-1.13502025e-06, 6.08853238e-08, 1.07413492e-06,
0.00000000e+00, -6.03435211e-06, 6.03435211e-06]))
('conv_angle', 88.2759505984843)
('Site fractions', array([ 9.99999591e-01, 3.99170280e-07, 9.68670945e-09,
2.92921250e-08, 9.99999802e-01, 1.69077825e-07,
1.47079875e-01, 7.24802834e-01, 1.28117291e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.06335831, 0.93664169]))
('Chemical potentials', array([-40996.79096944, -37391.11032244, -46999.42671753]))
('Chem pot progress', array([-0.07639224, 0.06279613, -0.04310617]))
('Energy progress', -0.003588999214116484)
('Driving force', 0.00026752573467092589)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.66666404e-01 3.33333533e-01 6.28170813e-08], NP=0.06335831099929616), CompositionSet(BCC_A2, [ 0.14707988 0.72480283 0.12811729], NP=0.936641689000704)])
('reduced_hessian eigenvalues', array([ 6.09944314e+03, 3.81050235e+08, 4.31765121e+08,
3.65984585e+09, 2.11883648e+10]))
('NEW_L_MULTIPLIERS', array([ -483.20426511, -1578.82217708, 8138.85943753, -24580.22275975,
-40997.24019649, -37391.05427493, -46999.22808014]))
('L_CONSTRAINTS', array([ 3.86462868e-17, -1.16042349e-16, -1.66533454e-16,
0.00000000e+00, -5.36354294e-12, -7.70494779e-13,
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5.22142075e-08, -6.55414155e-06, 6.50192734e-06,
1.81224516e-04, -9.05896310e-05, -9.06348849e-05,
0.00000000e+00, -2.17029553e-04, 2.17029553e-04]))
('conv_angle', 70.477464901058653)
('Site fractions', array([ 8.87275481e-01, 4.68128219e-02, 6.59116968e-02,
2.36372270e-06, 9.98837059e-01, 1.16057724e-03,
1.29226673e-01, 7.41436995e-01, 1.29336332e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.10983012, 0.89016988]))
('Chemical potentials', array([-41818.67823924, -37272.98424892, -46791.56708872]))
('Chem pot progress', array([ 9.36511492, -0.72314028, -5.67972917]))
('Energy progress', -0.009565772721543908)
('Driving force', 0.0029803976940456778)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59151778 0.36415423 0.04432799], NP=0.10983012319453607), CompositionSet(BCC_A2, [ 0.12922667 0.74143699 0.12933633], NP=0.890169876805464)])
('reduced_hessian eigenvalues', array([ 2.53738196e+03, 6.04853894e+03, 9.63587896e+03,
1.14232594e+05, 7.48802970e+07]))
('NEW_L_MULTIPLIERS', array([ -764.71946635, -2576.5411659 , 7697.34022118, -23485.78688581,
-41818.61000234, -37272.99058816, -46791.60763213]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 3.33934269e-17, -5.55111512e-17,
0.00000000e+00, 1.61916125e-07, -1.72902463e-08,
-1.44625878e-07]))
('penalty', 10000)
('old_driving_force', -39233.432889253876, 1.619161247579104e-07)
('sublsum', -4.7322359465995451e-07)
(1.0, -39233.436127577952, 1.1754097695160226e-11)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59151348 0.36415411 0.04433241], NP=0.10982806606102817), CompositionSet(BCC_A2, [ 0.12922809 0.74143616 0.12933575], NP=0.8901719339389719)])
('step', array([ -6.44623355e-06, -1.52996356e-07, 6.59922990e-06,
8.47411278e-10, -5.56178481e-08, 5.47704367e-08,
1.41662974e-06, -8.37584156e-07, -5.79045581e-07,
0.00000000e+00, -2.05713351e-06, 2.05713351e-06]))
('conv_angle', 75.608920130719781)
('Site fractions', array([ 8.87269035e-01, 4.68126689e-02, 6.59182960e-02,
2.36457012e-06, 9.98837003e-01, 1.16063201e-03,
1.29228090e-01, 7.41436157e-01, 1.29335753e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.10982807, 0.89017193]))
('Chemical potentials', array([-41818.61000234, -37272.99058816, -46791.60763213]))
('Chem pot progress', array([ 0.0682369 , -0.00633924, -0.04054341]))
('Energy progress', -0.0006408215267583728)
('Driving force', 1.7667480278760195e-07)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.59151348 0.36415411 0.04433241], NP=0.10982806606102817), CompositionSet(BCC_A2, [ 0.12922809 0.74143616 0.12933575], NP=0.8901719339389719)])
('reduced_hessian eigenvalues', array([ 2.53693864e+03, 6.04844690e+03, 9.63526029e+03,
1.14225041e+05, 7.48520749e+07]))
('NEW_L_MULTIPLIERS', array([ -764.71946199, -2576.54115545, 7697.3402315 , -23485.78688957,
-41818.6099987 , -37272.99058708, -46791.60764245]))
('L_CONSTRAINTS', array([ 0.00000000e+00, -7.06899816e-17, 5.55111512e-17,
0.00000000e+00, 1.17540977e-11, -1.47504231e-12,
-1.02790693e-11]))
('penalty', 10000)
('old_driving_force', -39233.436127577952, 1.1754097695160226e-11)
('sublsum', -1.2494766633878887e-14)
(1.0, -39233.436127813053, 7.2207864687534595e-17)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.59151348 0.36415411 0.04433241], NP=0.10982806562094996), CompositionSet(BCC_A2, [ 0.12922809 0.74143616 0.12933575], NP=0.8901719343790502)])
('step', array([ -1.25091344e-09, 4.09481127e-10, 8.41432315e-10,
1.87937695e-13, 3.45529804e-12, -3.64316505e-12,
3.18220555e-10, -2.18684476e-10, -9.95361344e-11,
0.00000000e+00, -4.40078204e-10, 4.40078265e-10]))
('conv_angle', 80.067697246016593)
('Site fractions', array([ 8.87269034e-01, 4.68126693e-02, 6.59182968e-02,
2.36457030e-06, 9.98837003e-01, 1.16063201e-03,
1.29228090e-01, 7.41436157e-01, 1.29335753e-01,
1.00000000e+00]))
('Phase fractions', array([ 0.10982807, 0.89017193]))
('Chemical potentials', array([-41818.6099987 , -37272.99058708, -46791.60764245]))
('Chem pot progress', array([ 3.64005246e-06, 1.08546374e-06, -1.03195853e-05]))
('Energy progress', -4.4426997192204e-08)
('Driving force', -2.9103830456733704e-11)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.12922807 0.7414362 0.12933574], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.1292281 0.74143614 0.12933576], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.12922809 0.74143616 0.12933575], NP=1.0), 2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.12922799 0.74143622 0.12933579], NP=1.0), -3.2014213502407074e-10), (CompositionSet(BCC_A2, [ 0.12922809 0.74143616 0.12933575], NP=1.0), 7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12922809 0.74143616 0.12933575], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.12922809 0.74143616 0.12933575], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.12922806 0.74143616 0.12933578], NP=1.0), -2.1827872842550278e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.59151349 0.3641541 0.04433241], NP=1.0), 2.1827872842550278e-11)], 'HCP_A3': []})
No progress
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.927092492065785), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.07290750793421491)])
('reduced_hessian eigenvalues', array([ 2.77485661e+02, 1.21564969e+14, 3.64562992e+14]))
('NEW_L_MULTIPLIERS', array([ 25527.20678364, -81895.39449869, -14526.10776606, 66276.41680133,
-42181.77726371, -36747.04572494, -64835.85797027]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 0.00000000e+00, -1.99922887e-16,
0.00000000e+00, 9.67964124e-03, 4.99911633e-02,
-5.96708045e-02]))
('penalty', 10000)
('old_driving_force', -39263.13222805949, 0.059670804515822753)
('sublsum', -277.95181936594281)
(1.0, -34812.311853351457, 0.30000000000099991)
(0.5, -35145.365106387726, 0.30000000000099991)
(0.25, -37684.526441171576, 0.16767953215112419)
(0.125, -38791.598291474424, 0.09900487157196658)
(0.0625, -39277.606911846553, 0.06466754128238783)
('alpha', 0.0625)
('Phases', [CompositionSet(BCC_A2, [ 0.13822267 0.76466754 0.09710979], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -3.71646858e-01, 5.49397285e-01, -1.77750426e-01,
0.00000000e+00, -8.52273475e-10, 1.80275857e-09,
-9.50484733e-10, 0.00000000e+00, 2.07414135e+00,
-2.07414135e+00]))
('conv_angle', 89.944448210217175)
('Site fractions', array([ 1.38222674e-01, 7.64667541e-01, 9.71097850e-02,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-42181.77726371, -36747.04572494, -64835.85797027]))
('Chem pot progress', array([ 3.52958180e+03, 1.10128824e-02, -2.06707984e+04]))
('Energy progress', 394.15250263591588)
('Driving force', 1431.1603620844471)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13822267 0.76466754 0.09710979], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-88161.6872763 , 5026.08391117, 88843.20225714]))
('reduced_hessian modified eigenvalues', array([ 5026.08391117, 88161.6872763 , 88843.20225714]))
('NEW_L_MULTIPLIERS', array([ 7225.45450359, -27217.60856591, 861.38741265, 301.18162876,
-40058.89768861, -35638.79083455, -42939.05125478]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -1.77732633e-03, 6.46675413e-02,
-6.28902150e-02]))
('penalty', 10000)
('old_driving_force', -37968.407099868928, 0.06466754128238783)
('sublsum', -259.47457356154126)
(1.0, -39365.536568584102, 0.0021401738535001824)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13874297 0.70214017 0.15911686], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 0.00052029, -0.06252737, 0.06200707, 0. , -0.0064563 ,
0.01218595, -0.00572965, 0. , 0.00909426, -0.00909426]))
('conv_angle', 56.209560218006715)
('Site fractions', array([ 1.38742967e-01, 7.02140174e-01, 1.59116859e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-40058.89768861, -35638.79083455, -42939.05125478]))
('Chem pot progress', array([ 2122.87957511, 1108.25489038, 21896.80671549]))
('Energy progress', -601.5496596725206)
('Driving force', -1982.6925843060017)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13874297 0.70214017 0.15911686], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92345.46659936, 5016.79715602, 95038.28483755]))
('reduced_hessian modified eigenvalues', array([ 5016.79715602, 92345.46659936, 95038.28483755]))
('NEW_L_MULTIPLIERS', array([ 8522.70066943, -26753.19436576, 460.96546179, 147.66027325,
-41268.75417369, -37058.00816255, -45495.6987762 ]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -1.25703251e-03, 2.14017385e-03,
-8.83141339e-04]))
('penalty', 10000)
('old_driving_force', -39366.277906819756, 0.0021401738535001824)
('sublsum', -3.0402310941667139)
(1.0, -39382.817898047411, 0.001306194474228195)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13939158 0.70130619 0.15930223], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 6.48607739e-04, -8.33979379e-04, 1.85371640e-04,
0.00000000e+00, -9.16544120e-05, 5.85869023e-04,
-4.94214613e-04, 0.00000000e+00, 4.38526568e-03,
-4.38526568e-03]))
('conv_angle', 60.754554229065981)
('Site fractions', array([ 1.39391575e-01, 7.01306194e-01, 1.59302230e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41268.75417369, -37058.00816255, -45495.6987762 ]))
('Chem pot progress', array([-1209.85648508, -1419.217328 , -2556.64752142]))
('Energy progress', -4.155634639326308)
('Driving force', -411.39868524886697)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13939158 0.70130619 0.15930223], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92103.92465712, 5019.62627842, 94649.1279971 ]))
('reduced_hessian modified eigenvalues', array([ 5019.62627843, 92103.92465712, 94649.1279971 ]))
('NEW_L_MULTIPLIERS', array([ 8541.95547582, -26725.60058365, 436.78075896, 139.15663971,
-41281.15856834, -37076.99277075, -45501.7968788 ]))
('L_CONSTRAINTS', array([ 0.00000000e+00, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -6.08424774e-04, 1.30619447e-03,
-6.97769699e-04]))
('penalty', 10000)
('old_driving_force', -39382.804902669268, 0.001306194474228195)
('sublsum', -3.0541289743083309)
(1.0, -39383.700965010859, 0.0012609928333960907)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13941153 0.70126099 0.15932748], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 1.99566703e-05, -4.52016408e-05, 2.52449706e-05,
0.00000000e+00, -1.97531743e-05, 3.80778843e-04,
-3.61025671e-04, 0.00000000e+00, 4.22169060e-03,
-4.22169061e-03]))
('conv_angle', 57.389436867824614)
('Site fractions', array([ 1.39411532e-01, 7.01260993e-01, 1.59327475e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41281.15856834, -37076.99277075, -45501.7968788 ]))
('Chem pot progress', array([-12.40439465, -18.9846082 , -6.09810261]))
('Energy progress', -0.2886146072196425)
('Driving force', -395.37618198855489)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13941153 0.70126099 0.15932748], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92107.42187051, 5019.61476601, 94655.06401854]))
('reduced_hessian modified eigenvalues', array([ 5019.61476601, 92107.42187051, 94655.06401854]))
('NEW_L_MULTIPLIERS', array([ 8542.69766192, -26724.37938149, 435.74093318, 138.7966042 ,
-41281.75535582, -37077.9881257 , -45502.41633909]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -5.88468103e-04, 1.26099283e-03,
-6.72524729e-04]))
('penalty', 10000)
('old_driving_force', -39383.700477668157, 0.0012609928333960907)
('sublsum', -3.0550099592569331)
(1.0, -39383.75419683801, 0.0012582829942350271)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.1394128 0.70125828 0.15932892], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 1.26939343e-06, -2.70983916e-06, 1.44044573e-06,
0.00000000e+00, -1.46073880e-05, 3.69538487e-04,
-3.54931101e-04, 0.00000000e+00, 4.21198090e-03,
-4.21198090e-03]))
('conv_angle', 57.227430043214454)
('Site fractions', array([ 1.39412801e-01, 7.01258283e-01, 1.59328916e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41281.75535582, -37077.9881257 , -45502.41633909]))
('Chem pot progress', array([-0.59678749, -0.99535495, -0.61946028]))
('Energy progress', -0.016993552781059407)
('Driving force', -394.49580467461055)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1394128 0.70125828 0.15932892], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92107.79402122, 5019.61486435, 94655.01812083]))
('reduced_hessian modified eigenvalues', array([ 5019.61486435, 92107.79402122, 94655.01812083]))
('NEW_L_MULTIPLIERS', array([ 8542.74250477, -26724.30511829, 435.67681244, 138.77473406,
-41281.79200454, -37078.04919661, -45502.45258865]))
('L_CONSTRAINTS', array([ 1.11022302e-16, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -5.87198710e-04, 1.25828299e-03,
-6.71084283e-04]))
('penalty', 10000)
('old_driving_force', -39383.754165840117, 0.0012582829942350271)
('sublsum', -3.0550515747549341)
(1.0, -39383.757493337878, 0.0012581151399375656)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13941288 0.70125812 0.15932901], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 7.83117802e-08, -1.67854297e-07, 8.95425171e-08,
0.00000000e+00, -1.42996344e-05, 3.68851693e-04,
-3.54552061e-04, 0.00000000e+00, 4.21138083e-03,
-4.21138083e-03]))
('conv_angle', 57.217643876178826)
('Site fractions', array([ 1.39412880e-01, 7.01258115e-01, 1.59329005e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41281.79200454, -37078.04919661, -45502.45258865]))
('Chem pot progress', array([-0.03664872, -0.06107091, -0.03624956]))
('Energy progress', -0.0010539566792431287)
('Driving force', -394.44206370077154)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13941288 0.70125812 0.15932901], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92107.52207369, 5019.61486947, 94655.30847504]))
('reduced_hessian modified eigenvalues', array([ 5019.61486947, 92107.52207369, 94655.30847504]))
('NEW_L_MULTIPLIERS', array([ 8542.74448703, -26724.30241805, 435.67550895, 138.77423607,
-41281.79358597, -37078.05160193, -45502.4541489 ]))
('L_CONSTRAINTS', array([ -8.32667268e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -5.87120398e-04, 1.25811514e-03,
-6.70994741e-04]))
('penalty', 10000)
('old_driving_force', -39383.757492287114, 0.0012581151399375656)
('sublsum', -3.0550734909730073)
(1.0, -39383.757544661217, 0.0012581124979480496)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13941288 0.70125811 0.15932901], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 1.23301367e-09, -2.64198956e-09, 1.40897597e-09,
0.00000000e+00, -1.42863688e-05, 3.68824316e-04,
-3.54537950e-04, 0.00000000e+00, 4.21136962e-03,
-4.21136962e-03]))
('conv_angle', 57.217196306116755)
('Site fractions', array([ 1.39412881e-01, 7.01258112e-01, 1.59329007e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41281.79358597, -37078.05160193, -45502.4541489 ]))
('Chem pot progress', array([-0.00158142, -0.00240533, -0.00156026]))
('Energy progress', -1.6587364370934665e-05)
('Driving force', -394.43990741587913)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13941288 0.70125811 0.15932901], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92107.74192094, 5019.6148676 , 94655.09139795]))
('reduced_hessian modified eigenvalues', array([ 5019.6148676 , 92107.74192094, 94655.09139795]))
('NEW_L_MULTIPLIERS', array([ 8542.74512311, -26724.30092754, 435.67346152, 138.77357588,
-41281.79413028, -37078.0526836 , -45502.45469846]))
('L_CONSTRAINTS', array([ 5.55111512e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -5.87119165e-04, 1.25811250e-03,
-6.70993332e-04]))
('penalty', 10000)
('old_driving_force', -39383.757543988679, 0.0012581124979480496)
('sublsum', -3.0550591599538279)
(1.0, -39383.757661506599, 0.0012581065698030747)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13941288 0.70125811 0.15932901], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 2.76646728e-09, -5.92814500e-09, 3.16167766e-09,
0.00000000e+00, -1.42817447e-05, 3.68812386e-04,
-3.54530643e-04, 0.00000000e+00, 4.21134974e-03,
-4.21134974e-03]))
('conv_angle', 57.217068886837453)
('Site fractions', array([ 1.39412884e-01, 7.01258107e-01, 1.59329010e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41281.79413028, -37078.0526836 , -45502.45469846]))
('Chem pot progress', array([-0.00054431, -0.00108167, -0.00054956]))
('Energy progress', -3.7219775549601763e-05)
('Driving force', -394.43898439878831)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13941288 0.70125811 0.15932901], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92107.61587198, 5019.6148688 , 94655.21669349]))
('reduced_hessian modified eigenvalues', array([ 5019.6148688 , 92107.61587198, 94655.21669349]))
('NEW_L_MULTIPLIERS', array([ 8542.74487778, -26724.30158559, 435.67446942, 138.77389784,
-41281.79391623, -37078.05222658, -45502.45448057]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -5.87116399e-04, 1.25810657e-03,
-6.70990170e-04]))
('penalty', 10000)
('old_driving_force', -39383.757661809708, 0.0012581065698030747)
('sublsum', -3.0550675578070496)
(1.0, -39383.757603044134, 0.0012581095342103499)
(0.5, -39383.757632426918, 0.0012581080520066568)
(0.25, -39383.757647118313, 0.0012581073109049212)
(0.125, -39383.757654463996, 0.0012581069403539979)
(0.0625, -39383.757658136856, 0.0012581067550785363)
(0.03125, -39383.757659973278, 0.00125810666244075)
(0, -39383.757661809708, 0.0012581065698030747)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13941288 0.70125811 0.15932901], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -1.38339006e-09, 2.96440727e-09, -1.58101723e-09,
0.00000000e+00, -1.42835690e-05, 3.68817391e-04,
-3.54533824e-04, 0.00000000e+00, 4.21135957e-03,
-4.21135958e-03]))
('conv_angle', 57.217115664142149)
('Site fractions', array([ 1.39412884e-01, 7.01258107e-01, 1.59329010e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41281.79391623, -37078.05222658, -45502.45448057]))
('Chem pot progress', array([ 0.00021405, 0.00045702, 0.0002179 ]))
('Energy progress', 0.0)
('Driving force', -394.43936944872257)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13941288 0.70125811 0.15932901], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92107.61577145, 5019.61486876, 94655.21652555]))
('reduced_hessian modified eigenvalues', array([ 5019.61486876, 92107.61577145, 94655.21652555]))
('NEW_L_MULTIPLIERS', array([ 8542.74487621, -26724.30158731, 435.67447111, 138.77389894,
-41281.79391555, -37078.0522269 , -45502.4544799 ]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -5.87116399e-04, 1.25810657e-03,
-6.70990170e-04]))
('penalty', 1000.0)
('old_driving_force', -39406.403580073908, 0.0012581065698030747)
('sublsum', -3.0550675623523991)
(1.0, -39406.403574665339, 0.0012581095354728955)
(0.5, -39406.403577369623, 0.0012581080526379296)
(0.25, -39406.403578721773, 0.0012581073112205576)
(0.125, -39406.403579397826, 0.0012581069405117606)
(0.0625, -39406.403579735867, 0.0012581067551574732)
(0.03125, -39406.403579904872, 0.0012581066624802739)
(0, -39406.403580073908, 0.0012581065698030747)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13941288 0.70125811 0.15932901], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -1.38397924e-09, 2.96566978e-09, -1.58169057e-09,
0.00000000e+00, -1.42835679e-05, 3.68817389e-04,
-3.54533823e-04, 0.00000000e+00, 4.21135958e-03,
-4.21135958e-03]))
('conv_angle', 57.217115744742308)
('Site fractions', array([ 1.39412884e-01, 7.01258107e-01, 1.59329010e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41281.79391555, -37078.0522269 , -45502.4544799 ]))
('Chem pot progress', array([ 6.81182428e-07, -3.23678250e-07, 6.70472218e-07]))
('Energy progress', 0.0)
('Driving force', -394.43936942353321)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13941288 0.70125811 0.15932901], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8841.59814392, -26211.58331545, -41534.78211906, -37533.09251955,
-45752.54760699]))
('L_CONSTRAINTS', array([ 2.77555756e-17, 0.00000000e+00, -5.87116399e-04,
1.25810657e-03, -6.70990170e-04]))
('penalty', 100.0)
('old_driving_force', -39408.412026271813, 0.0012581065688030968)
('sublsum', -0.034375511230451905)
(1.0, -39408.680868167634, 2.7755575615628914e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0)])
('step', array([ 5.87116399e-04, -1.25810657e-03, 6.70990170e-04,
0.00000000e+00, 8.94492003e-20]))
('conv_angle', 51.094034619665166)
('Site fractions', array([ 0.14, 0.7 , 0.16, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41534.78211906, -37533.09251955, -45752.54760699]))
('Chem pot progress', array([-252.98820352, -455.04029265, -250.09312709]))
('Energy progress', -7.881851735401142)
('Driving force', -0.23899069922481431)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8841.81932143, -26211.59591925, -41535.07775666, -37533.30975943,
-45752.83219148]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -39408.680868167634, 2.7755575615628914e-17)
('sublsum', 2.0194839173657907e-28)
(1.0, -39408.680868167634, 2.7755575615628914e-17)
(0.5, -39408.680868167634, 2.7755575615628914e-17)
(0.25, -39408.680868167634, 2.7755575615628914e-17)
(0.125, -39408.680868167634, 2.7755575615628914e-17)
(0.0625, -39408.680868167634, 2.7755575615628914e-17)
(0.03125, -39408.680868167634, 2.7755575615628914e-17)
(0, -39408.680868167634, 2.7755575615628914e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0)])
('step', array([ 3.88578059e-18, 1.94289029e-17, 4.44089210e-18,
0.00000000e+00, -2.77555756e-17]))
('conv_angle', 143.81178115311587)
('Site fractions', array([ 0.14, 0.7 , 0.16, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41535.07775666, -37533.30975943, -45752.83219148]))
('Chem pot progress', array([-0.2956376 , -0.21723988, -0.2845845 ]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8841.81932143, -26211.59591925, -41535.07775666, -37533.30975943,
-45752.83219148]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -39408.680868167634, 2.7755575615628914e-17)
('sublsum', 2.0194839173657907e-28)
(1.0, -39408.680868167634, 2.7755575615628914e-17)
(0.5, -39408.680868167634, 2.7755575615628914e-17)
(0.25, -39408.680868167634, 2.7755575615628914e-17)
(0.125, -39408.680868167634, 2.7755575615628914e-17)
(0.0625, -39408.680868167634, 2.7755575615628914e-17)
(0.03125, -39408.680868167634, 2.7755575615628914e-17)
(0, -39408.680868167634, 2.7755575615628914e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0)])
('step', array([ 3.88578059e-18, 1.94289029e-17, 4.44089210e-18,
0.00000000e+00, -2.77555756e-17]))
('conv_angle', 143.81178115311587)
('Site fractions', array([ 0.14, 0.7 , 0.16, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41535.07775666, -37533.30975943, -45752.83219148]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', -7.2759576141834259e-12)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0), -7.275957614183426e-12), (CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=1.0), -2.0372681319713593e-10), (CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14000001 0.69999998 0.16000002], NP=1.0), -2.9103830456733704e-11), (CompositionSet(BCC_A2, [ 0.14 0.7 0.16], NP=1.0), -1.4551915228366852e-11)], 'LAVES_C36': [], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0), 121.35716371224407)], 'HCP_A3': []})
Adding CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.5971263472013957)
Adding CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)
Adding CompositionSet(BCC_A2, [ 0.14000001 0.69999998 0.16000002], NP=0.40287354912444695)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.5971263472013957), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07), CompositionSet(BCC_A2, [ 0.14000001 0.69999998 0.16000002], NP=0.40287354912444695)])
('reduced_hessian eigenvalues', array([ -2.93346125e+01, -1.88367898e+01, 5.58512741e-03,
7.80995026e-02, 5.96690393e+01, 5.12302200e+03,
6.72109441e+03, 2.15736361e+04]))
('reduced_hessian modified eigenvalues', array([ 5.58512741e-03, 7.80995026e-02, 1.88367898e+01,
2.93346125e+01, 5.96690393e+01, 5.12302200e+03,
6.72109441e+03, 2.15736361e+04]))
('NEW_L_MULTIPLIERS', array([ 5176.10409551, -15406.054735 , -158.02996881, -510.19505437,
3461.47787059, -10304.00552309, -41995.10126848, -37483.14759363,
-45587.48778489]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, 2.77555756e-17, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00, -2.77555756e-17]))
('penalty', 100.0)
('old_driving_force', -39408.680880749096, 8.3266726846886741e-17)
('sublsum', -2.6410207122251967)
(1.0, -39343.180428198953, 0.15261513074274083)
(0.5, -39384.103346133845, 0.054633300422935377)
(0.25, -39401.918566625507, 0.0068781463710345311)
(0.125, -39406.693679031174, 0.0034376954912956441)
(0.0625, -39407.780692475215, 0.0017174700514262578)
(0.03125, -39408.241637289575, 0.00085735733149162018)
(0, -39408.680880749096, 8.3266726846886741e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.5971263472013957), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07), CompositionSet(BCC_A2, [ 0.14000001 0.69999998 0.16000002], NP=0.40287354912444695)])
('step', array([-0.00978426, 0.00730458, 0.00247968, 0. , 0.01491529,
-0.19596366, 0.18104837, -0.02752361, -0.12033362, 0.14785723,
-0.00976535, 0.00744429, 0.00232106, 0. , -0.01093751,
0.02176258, -0.01082507]))
('conv_angle', 89.588294917678382)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03, 1.40000005e-01, 6.99999977e-01,
1.60000018e-01, 1.00000000e+00]))
('Phase fractions', array([ 5.97126347e-01, 1.03674157e-07, 4.02873549e-01]))
('Chemical potentials', array([-41995.10126848, -37483.14759363, -45587.48778489]))
('Chem pot progress', array([-265.98651395, 154.22489178, -459.71231407]))
('Energy progress', 0.0)
('Driving force', 2.834657960680488)
Removing CompositionSet(BCC_A2, [ 0.14000001 0.69999998 0.16000002], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.89619809e+00, 9.14677645e-03, 8.92186611e-02,
5.88847783e+01, 4.93613111e+03]))
('reduced_hessian modified eigenvalues', array([ 9.14677645e-03, 8.92186611e-02, 8.89619809e+00,
5.88847783e+01, 4.93613111e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06277959, -25712.63847299, -154.48588272, -506.62270194,
-42000.68412795, -37482.71381211, -45600.73611389]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 10.0)
('old_driving_force', -39408.680897496801, 3.9098214665855835e-08)
('sublsum', -2.6277300102948544)
(1.0, -39382.938043163587, 0.039201643844019737)
(0.5, -39399.983488589925, 0.019599444227788303)
(0.25, -39404.720196526236, 0.0097983444196726444)
(0.125, -39406.663986955078, 0.0048977945156147579)
(0.0625, -39407.639179737089, 0.0024475195635858147)
(0.03125, -39408.148055184545, 0.0012223820875712876)
(0, -39408.680897496801, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972751, 0.00732386, 0.00240365, 0. , -0.30142617,
0.09499072, 0.20643545, -0.0392044 , -0.023117 , 0.0623214 ,
-0.02165335, 0.02165335]))
('conv_angle', 89.689310231043663)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.68412795, -37482.71381211, -45600.73611389]))
('Chem pot progress', array([ -5.58285947, 0.43378151, -13.248329 ]))
('Energy progress', 0.0)
('Driving force', 5.4323263360056444)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79557654e+00, 9.15696036e-03, 8.93403730e-02,
5.88878645e+01, 4.93704431e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15696036e-03, 8.93403730e-02, 8.79557654e+00,
5.88878645e+01, 4.93704431e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06631975, -25712.78818682, -154.3690784 , -506.48615366,
-42000.68560805, -37482.68122287, -45601.01778821]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0)
('old_driving_force', -39408.680898203107, 3.9098214665855835e-08)
('sublsum', -2.6272491710508667)
(1.0, -39384.1162712347, 0.039198733033476409)
(0.5, -39400.345268213001, 0.019597988822516583)
(0.25, -39404.849281525167, 0.0097976167170367827)
(0.125, -39406.716928921756, 0.0048974306642968271)
(0.0625, -39407.663170253349, 0.0024473376379268493)
(0.03125, -39408.15954562759, 0.0012222911247418049)
(0, -39408.680898203107, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972573, 0.00732252, 0.00240321, 0. , -0.30579016,
0.10603745, 0.19975271, -0.03920149, -0.01812758, 0.05732907,
-0.02164939, 0.02164939]))
('conv_angle', 89.690695394487875)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.68560805, -37482.68122287, -45601.01778821]))
('Chem pot progress', array([-0.0014801 , 0.03258924, -0.28167432]))
('Energy progress', 0.0)
('Driving force', 5.4547889688619762)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79023021e+00, 9.15712209e-03, 8.93428320e-02,
5.88885118e+01, 4.93702150e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712209e-03, 8.93428320e-02, 8.79023021e+00,
5.88885118e+01, 4.93702150e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06566649, -25712.78976968, -154.36756865, -506.4843967 ,
-42000.68362397, -37482.67960806, -45601.02314927]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 0.1)
('old_driving_force', -39408.680898273495, 3.9098214665855835e-08)
('sublsum', -2.6272440044480625)
(1.0, -39384.169179698292, 0.039193247599320684)
(0.5, -39400.367993442589, 0.019595246105438776)
(0.25, -39404.859693414131, 0.0097962453584978237)
(0.125, -39406.721894311144, 0.0048967449850272921)
(0.0625, -39407.665594692815, 0.0024469947982921373)
(0.03125, -39408.16074393563, 0.0012221197049245049)
(0, -39408.680898273495, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.00732251, 0.00240321, 0. , -0.30593802,
0.10629703, 0.19964099, -0.039196 , -0.01802783, 0.05722383,
-0.02164935, 0.02164935]))
('conv_angle', 89.690781984456279)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.68362397, -37482.67960806, -45601.02314927]))
('Chem pot progress', array([ 0.00198408, 0.00161481, -0.00536105]))
('Energy progress', 0.0)
('Driving force', 5.4542385996392113)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007762e+00, 9.15712554e-03, 8.93428848e-02,
5.88885324e+01, 4.93702052e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712554e-03, 8.93428848e-02, 8.79007762e+00,
5.88885324e+01, 4.93702052e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565781, -25712.78977023, -154.36755732, -506.48437785,
-42000.68355859, -37482.67956277, -45601.0232561 ]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 0.01)
('old_driving_force', -39408.680898280538, 3.9098214665855835e-08)
('sublsum', -2.6272439561859096)
(1.0, -39384.173633641716, 0.039193067908499461)
(0.5, -39400.370016090659, 0.019595156260028165)
(0.25, -39404.860651701223, 0.0097962004357925736)
(0.125, -39406.72235971778, 0.0048967225236747226)
(0.0625, -39407.665823862451, 0.0024469835676157415)
(0.03125, -39408.160857568102, 0.0012221140895863625)
(0, -39408.680898280538, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594188,
0.10630285, 0.19963902, -0.03919582, -0.01802579, 0.05722161,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784507101782)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.68355859, -37482.67956277, -45601.0232561 ]))
('Chem pot progress', array([ 6.53789975e-05, 4.52866152e-05, -1.06836414e-04]))
('Energy progress', 0.0)
('Driving force', 5.4542148397813435)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007392e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007392e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976986, -154.36755732, -506.48437766,
-42000.68355694, -37482.67956168, -45601.0232583 ]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 0.001)
('old_driving_force', -39408.680898281236, 3.9098214665855835e-08)
('sublsum', -2.6272439558461329)
(1.0, -39384.174066974789, 0.039193063370787956)
(0.5, -39400.370213326612, 0.019595153991172468)
(0.25, -39404.86074539597, 0.0097961993013646158)
(0.125, -39406.72240531323, 0.0048967219564607437)
(0.0625, -39407.66584633715, 0.0024469832840088076)
(0.03125, -39408.160868715997, 0.0012221139477828396)
(0, -39408.680898281236, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784568542256)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.68355694, -37482.67956168, -45601.0232583 ]))
('Chem pot progress', array([ 1.65362144e-06, 1.08861423e-06, -2.19952199e-06]))
('Energy progress', 0.0)
('Driving force', 5.4542141981655732)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 0.0001)
('old_driving_force', -39408.680898281309, 3.9098214665855835e-08)
('sublsum', -2.6272439558464398)
(1.0, -39384.174110114633, 0.039193063265989377)
(0.5, -39400.370232946065, 0.019595153938773122)
(0.25, -39404.860754715774, 0.0097961992751649969)
(0.125, -39406.722409849419, 0.0048967219433609897)
(0.0625, -39407.665848573371, 0.0024469832774589306)
(0.03125, -39408.160869825268, 0.0012221139445078456)
(0, -39408.680898281309, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569940192)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 3.82060534e-08, 2.46363925e-08, -4.61150194e-08]))
('Energy progress', 0.0)
('Driving force', 5.4542141829515458)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428860e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1e-05)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464207)
(1.0, -39384.174114424757, 0.039193063263658109)
(0.5, -39400.370234905786, 0.019595153937607433)
(0.25, -39404.860755646638, 0.0097961992745822096)
(0.125, -39406.722410302515, 0.0048967219430695406)
(0.0625, -39407.665848796736, 0.0024469832773131505)
(0.03125, -39408.160869936066, 0.0012221139444350665)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971157)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 8.80390871e-10, 5.38420863e-10, -9.89530236e-10]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-06)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558465663)
(1.0, -39384.174114856643, 0.039193063263607407)
(0.5, -39400.370235101764, 0.019595153937582137)
(0.25, -39404.860755739704, 0.0097961992745695045)
(0.125, -39406.722410347807, 0.004896721943063188)
(0.0625, -39407.665848819081, 0.0024469832773100853)
(0.03125, -39408.160869947125, 0.0012221139444334233)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -3.63797881e-11, 7.27595761e-12, -1.45519152e-11]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-07)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464846)
(1.0, -39384.174114899302, 0.039193063263610335)
(0.5, -39400.370235121343, 0.019595153937583602)
(0.25, -39404.860755749018, 0.0097961992745701811)
(0.125, -39406.72241035234, 0.0048967219430635818)
(0.0625, -39407.665848821307, 0.0024469832773102267)
(0.03125, -39408.160869948246, 0.0012221139444335491)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.69078456997164)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 3.63797881e-11, -7.27595761e-12, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826168518)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-08)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558465348)
(1.0, -39384.174114903268, 0.039193063263609114)
(0.5, -39400.370235123206, 0.019595153937583046)
(0.25, -39404.86075574992, 0.009796199274569959)
(0.125, -39406.722410352784, 0.0048967219430634153)
(0.0625, -39407.66584882154, 0.0024469832773100879)
(0.03125, -39408.16086994834, 0.0012221139444334797)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971939)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.18278728e-11, 1.45519152e-11, 2.18278728e-11]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-09)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466303)
(1.0, -39384.174114904476, 0.039193063263605832)
(0.5, -39400.370235123526, 0.019595153937581294)
(0.25, -39404.860755750044, 0.0097961992745691402)
(0.125, -39406.722410352828, 0.0048967219430630059)
(0.0625, -39407.665848821562, 0.0024469832773099387)
(0.03125, -39408.16086994837, 0.0012221139444334051)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971456)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, -7.27595761e-12, -2.18278728e-11]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-10)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558465179)
(1.0, -39384.174114904432, 0.039193063263599372)
(0.5, -39400.370235123512, 0.019595153937578175)
(0.25, -39404.860755750036, 0.0097961992745674679)
(0.125, -39406.722410352835, 0.0048967219430621697)
(0.0625, -39407.665848821554, 0.0024469832773095761)
(0.03125, -39408.16086994837, 0.0012221139444331683)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 2.91038305e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-11)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466658)
(1.0, -39384.174114904963, 0.039193063263603292)
(0.5, -39400.370235123562, 0.019595153937580136)
(0.25, -39404.860755750051, 0.0097961992745685053)
(0.125, -39406.722410352835, 0.0048967219430626329)
(0.0625, -39407.665848821554, 0.0024469832773097522)
(0.03125, -39408.16086994837, 0.0012221139444333674)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971328)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 1.45519152e-11]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-12)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-13)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-14)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1e-15)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000001e-16)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1e-17)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1e-18)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000001e-19)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000001e-20)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000001e-21)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1e-22)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000001e-23)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000001e-24)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-25)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-26)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-27)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-28)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-29)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-30)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-31)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-32)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-33)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-34)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-35)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-36)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-37)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-38)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-39)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-40)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-41)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-42)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-43)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-44)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-45)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-46)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000002e-47)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-48)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-49)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-50)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-51)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-52)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-53)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000003e-54)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-55)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-56)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-57)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-58)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-59)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-60)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000006e-61)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-62)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-63)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-64)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000006e-65)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-66)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-67)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-68)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-69)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-70)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-71)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-72)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-73)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-74)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000006e-75)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-76)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-77)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-78)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000004e-79)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-80)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-81)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-82)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000006e-83)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000006e-84)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000005e-85)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000006e-86)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000006e-87)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000006e-88)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000006e-89)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000006e-90)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000007e-91)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000007e-92)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-93)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-94)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-95)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000007e-96)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000007e-97)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-98)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-99)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-100)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-101)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-102)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-103)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-104)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-105)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-106)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-107)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-108)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-109)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-110)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-111)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-112)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-113)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-114)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-115)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-116)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-117)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-118)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-119)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-120)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-121)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-122)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-123)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-124)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-125)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-126)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-127)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-128)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-129)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-130)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-131)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-132)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000008e-133)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-134)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-135)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-136)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-137)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-138)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-139)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-140)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000009e-141)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-142)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-143)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-144)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-145)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-146)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-147)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-148)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-149)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-150)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-151)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-152)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-153)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-154)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-155)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-156)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-157)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-158)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-159)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-160)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-161)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-162)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-163)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-164)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-165)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-166)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-167)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-168)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-169)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-170)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-171)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-172)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-173)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-174)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-175)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-176)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-177)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-178)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-179)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-180)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-181)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-182)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000001e-183)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-184)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-185)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000011e-186)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-187)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-188)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-189)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-190)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-191)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-192)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-193)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-194)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-195)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-196)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-197)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-198)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-199)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-200)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-201)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-202)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-203)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000012e-204)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-205)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-206)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-207)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-208)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-209)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-210)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-211)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-212)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-213)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-214)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-215)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-216)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-217)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-218)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000013e-219)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-220)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-221)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-222)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000015e-223)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000015e-224)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000015e-225)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000014e-226)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000015e-227)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000015e-228)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000015e-229)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000015e-230)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000016e-231)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000016e-232)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000016e-233)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000016e-234)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000017e-235)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000018e-236)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000018e-237)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000017e-238)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000018e-239)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000018e-240)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000018e-241)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000018e-242)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000018e-243)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000019e-244)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-245)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-246)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-247)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-248)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000019e-249)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000019e-250)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-251)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-252)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-253)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-254)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-255)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-256)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-257)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-258)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-259)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-260)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-261)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-262)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-263)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000022e-264)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000022e-265)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000022e-266)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-267)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-268)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-269)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-270)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000022e-271)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000022e-272)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-273)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-274)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000022e-275)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.000000000000002e-276)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-277)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-278)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000022e-279)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464313)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000022e-280)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463914)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000022e-281)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466516)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-282)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558464256)
(1.0, -39384.174114904432, 0.039193063263604194)
(0.5, -39400.370235123548, 0.019595153937580531)
(0.25, -39404.860755750051, 0.0097961992745687031)
(0.125, -39406.722410352835, 0.0048967219430627318)
(0.0625, -39407.665848821554, 0.0024469832773098017)
(0.03125, -39408.16086994837, 0.0012221139444333366)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971527)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, -7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428860e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-283)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558463887)
(1.0, -39384.174114903486, 0.039193063263602383)
(0.5, -39400.370235123402, 0.019595153937579626)
(0.25, -39404.860755750022, 0.0097961992745682486)
(0.125, -39406.722410352835, 0.0048967219430625045)
(0.0625, -39407.665848821554, 0.0024469832773097435)
(0.03125, -39408.16086994837, 0.001222113944433308)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569972024)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ 1.45519152e-11, 0.00000000e+00, 0.00000000e+00]))
('Energy progress', 0.0)
('Driving force', 5.4542141826022998)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('reduced_hessian eigenvalues', array([ -8.79007384e+00, 9.15712562e-03, 8.93428859e-02,
5.88885329e+01, 4.93702049e+03]))
('reduced_hessian modified eigenvalues', array([ 9.15712562e-03, 8.93428859e-02, 8.79007384e+00,
5.88885329e+01, 4.93702049e+03]))
('NEW_L_MULTIPLIERS', array([ 8641.06565769, -25712.78976984, -154.36755732, -506.48437766,
-42000.6835569 , -37482.67956166, -45601.02325835]))
('L_CONSTRAINTS', array([ 8.32667268e-17, 0.00000000e+00, 0.00000000e+00,
-5.18248638e-17, -3.48035180e-08, 3.90982147e-08,
-4.29469652e-09]))
('penalty', 1.0000000000000021e-284)
('old_driving_force', -39408.680898281316, 3.9098214665855835e-08)
('sublsum', -2.6272439558466574)
(1.0, -39384.174114905029, 0.039193063263603382)
(0.5, -39400.370235123577, 0.01959515393758007)
(0.25, -39404.860755750051, 0.0097961992745685261)
(0.125, -39406.722410352835, 0.0048967219430626433)
(0.0625, -39407.665848821554, 0.0024469832773098129)
(0.03125, -39408.16086994837, 0.0012221139444332871)
(0, -39408.680898281316, 3.9098214665855835e-08)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.13999992 0.70000007 0.16000001], NP=0.9999998963258426), CompositionSet(LAVES_C15, [ 0.58924072 0.36176584 0.04899344], NP=1.0367415732215039e-07)])
('step', array([-0.00972571, 0.0073225 , 0.00240321, 0. , -0.30594197,
0.10630298, 0.19963899, -0.03919582, -0.01802575, 0.05722157,
-0.02164935, 0.02164935]))
('conv_angle', 89.690784569971285)
('Site fractions', array([ 1.39999919e-01, 7.00000074e-01, 1.60000007e-01,
1.00000000e+00, 8.83859702e-01, 4.33485299e-02,
7.27917681e-02, 2.75538944e-06, 9.98600473e-01,
1.39677204e-03]))
('Phase fractions', array([ 9.99999896e-01, 1.03674157e-07]))
('Chemical potentials', array([-42000.6835569 , -37482.67956166, -45601.02325835]))
('Chem pot progress', array([ -2.91038305e-11, 0.00000000e+00, 7.27595761e-12]))
('Energy progress', 0.0)
('Driving force', 5.4542141826095758)
Failed to converge: OrderedDict([('P', array(101325.0)), ('T', array(873.0)), ('X_TI', array(0.7000000000000002)), ('X_V', array(0.16))])
Removing CompositionSet(BCC_A2, [ 0.1231989 0.53277672 0.34402438], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.8908439404906021), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.10915605950939784)])
('reduced_hessian eigenvalues', array([ 2.87348039e+02, 1.80527521e+14, 5.41074525e+14]))
('NEW_L_MULTIPLIERS', array([ 19480.18247405, -62673.46473235, -9480.06243505, 43253.54484175,
-41263.19538767, -36747.04153314, -60977.31816695]))
('L_CONSTRAINTS', array([ -1.38777878e-17, 0.00000000e+00, -1.99922887e-16,
0.00000000e+00, 3.82729076e-03, 1.97663025e-02,
-2.35935933e-02]))
('penalty', 10000)
('old_driving_force', -38834.033840744843, 0.023593593286191192)
('sublsum', -567.33246982019136)
(1.0, -33897.13421436413, 0.26000000000099988)
(0.5, -35756.364745675572, 0.19343683257579947)
(0.25, -37794.665719771212, 0.091883521784304145)
(0.125, -38627.233264536975, 0.04110686638855654)
(0.0625, -38887.918573570125, 0.022922976303465917)
('alpha', 0.0625)
('Phases', [CompositionSet(BCC_A2, [ 0.14515191 0.75571854 0.09912956], NP=0.979294455804682), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.020705544195317893)])
('step', array([ -2.60779137e-01, 4.06213243e-01, -1.45434106e-01,
0.00000000e+00, -3.70927963e-10, 7.86795083e-10,
-4.15867027e-10, 0.00000000e+00, 1.41520825e+00,
-1.41520825e+00]))
('conv_angle', 89.759848563846262)
('Site fractions', array([ 1.45151906e-01, 7.55718539e-01, 9.91295551e-02,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 0.97929446, 0.02070554]))
('Chemical potentials', array([-41263.19538767, -36747.04153314, -60977.31816695]))
('Chem pot progress', array([ 4.44816368e+03, 1.52046792e-02, -1.68122586e+04]))
('Energy progress', 91.57762478388031)
('Driving force', 940.55816915207834)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14515191 0.75571854 0.09912956], NP=0.979294455804682), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.020705544195317893)])
('reduced_hessian eigenvalues', array([ -5.86730584e+02, 3.47100933e+13, 1.04128231e+14]))
('reduced_hessian modified eigenvalues', array([ 5.86716560e+02, 3.47100933e+13, 1.04128231e+14]))
('NEW_L_MULTIPLIERS', array([ 10282.23987818, -32347.02836521, -1551.02514797, 7105.20459755,
-42396.06344034, -37018.90354167, -45194.84278825]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, 2.14645702e-03, 2.07765193e-02,
-2.29229763e-02]))
('penalty', 10000)
('old_driving_force', -38518.057265622432, 0.022922976303465917)
('sublsum', -180.88688607365458)
(1.0, -37949.398073590135, 0.053163551870875847)
(0.5, -38320.855360897811, 0.034441045280779292)
(0.25, -38499.02069486348, 0.02507979198573107)
(0.125, -38575.954582502833, 0.020920063478720136)
('alpha', 0.125)
('Phases', [CompositionSet(BCC_A2, [ 0.1405209 0.76039917 0.09907994], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ -3.70480647e-02, 3.74450132e-02, -3.96948472e-04,
0.00000000e+00, -3.31188459e-10, 6.48491057e-10,
-3.19302603e-10, 0.00000000e+00, 2.35164031e-01,
-2.35164031e-01]))
('conv_angle', 87.403880652432562)
('Site fractions', array([ 1.40520898e-01, 7.60399165e-01, 9.90799365e-02,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-42396.06344034, -37018.90354167, -45194.84278825]))
('Chem pot progress', array([ -1132.86805267, -271.86200853, 15782.4753787 ]))
('Energy progress', -25.473863984501804)
('Driving force', -241.53721503398992)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.1405209 0.76039917 0.09907994], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92940.44708451, 5016.45046619, 95483.48555137]))
('reduced_hessian modified eigenvalues', array([ 5016.45046619, 92940.44708451, 95483.48555137]))
('NEW_L_MULTIPLIERS', array([ 8227.67121316, -27105.40590631, 657.08252367, 211.79340665,
-40911.61520393, -36691.94740734, -46823.82177095]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, 5.20898142e-04, 2.03991653e-02,
-2.09200635e-02]))
('penalty', 10000)
('old_driving_force', -38617.475804800881, 0.020920063478720136)
('sublsum', -26.396746541848117)
(1.0, -39015.59799638595, 0.0015385998892314401)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13909764 0.7415386 0.11936376], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([-0.00142325, -0.01886057, 0.02028382, 0. , -0.00160996,
0.00392367, -0.00231371, 0. , 0.00642151, -0.00642151]))
('conv_angle', 61.362831576517301)
('Site fractions', array([ 1.39097643e-01, 7.41538600e-01, 1.19363757e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-40911.61520393, -36691.94740734, -46823.82177095]))
('Chem pot progress', array([ 1484.44823641, 326.95613433, -1628.9789827 ]))
('Energy progress', -210.00037643740507)
('Driving force', -547.84417168189975)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13909764 0.7415386 0.11936376], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92368.49394541, 5022.72766603, 94825.95745328]))
('reduced_hessian modified eigenvalues', array([ 5022.72766603, 92368.49394541, 94825.95745328]))
('NEW_L_MULTIPLIERS', array([ 8404.34897829, -26699.23507058, 315.53971763, 101.33867423,
-41053.22041698, -36970.83391402, -47110.42216158]))
('L_CONSTRAINTS', array([ -2.77555756e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -9.02356782e-04, 1.53859989e-03,
-6.36243106e-04]))
('penalty', 10000)
('old_driving_force', -39015.479027584108, 0.0015385998892314401)
('sublsum', -1.4938851668937099)
(1.0, -39030.370803067213, 0.00079022094394087805)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13957472 0.74079022 0.11963506], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 4.77079078e-04, -7.48378945e-04, 2.71299867e-04,
0.00000000e+00, -8.10660862e-05, 3.74852920e-04,
-2.93786836e-04, 0.00000000e+00, 3.05740409e-03,
-3.05740410e-03]))
('conv_angle', 60.209547849595488)
('Site fractions', array([ 1.39574722e-01, 7.40790221e-01, 1.19635057e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41053.22041698, -36970.83391402, -47110.42216158]))
('Chem pot progress', array([-141.60521306, -278.88650668, -286.60039063]))
('Energy progress', -4.622686710339622)
('Driving force', -287.05660781083134)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13957472 0.74079022 0.11963506], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92381.23336837, 5022.98738981, 94852.88971751]))
('reduced_hessian modified eigenvalues', array([ 5022.98738981, 92381.23336837, 94852.88971751]))
('NEW_L_MULTIPLIERS', array([ 8415.14928335, -26681.62028704, 300.6592502 , 96.29484805,
-41062.25732381, -36985.1612683 , -47119.31245625]))
('L_CONSTRAINTS', array([ 1.38777878e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -4.25277704e-04, 7.90220944e-04,
-3.64943239e-04]))
('penalty', 10000)
('old_driving_force', -39030.36656893968, 0.00079022094394087805)
('sublsum', -1.4908255625699931)
(1.0, -39031.042469625711, 0.00075624584439404341)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13959279 0.74075625 0.11965096], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 1.80677446e-05, -3.39750995e-05, 1.59073550e-05,
0.00000000e+00, -7.73479111e-06, 2.11330313e-04,
-2.03595524e-04, 0.00000000e+00, 2.91750507e-03,
-2.91750507e-03]))
('conv_angle', 56.553759590907916)
('Site fractions', array([ 1.39592790e-01, 7.40756246e-01, 1.19650964e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41062.25732381, -36985.1612683 , -47119.31245625]))
('Chem pot progress', array([ -9.03690683, -14.32735427, -8.89029466]))
('Energy progress', -0.23127016540092882)
('Driving force', -274.11452789960458)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13959279 0.74075625 0.11965096], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92382.85243415, 5022.98767431, 94856.12607606]))
('reduced_hessian modified eigenvalues', array([ 5022.98767431, 92382.85243415, 94856.12607606]))
('NEW_L_MULTIPLIERS', array([ 8415.6375635 , -26680.81867202, 299.98320534, 96.06376957,
-41062.65605506, -36985.80713099, -47119.72814293]))
('L_CONSTRAINTS', array([ 9.71445147e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -4.07209959e-04, 7.56245844e-04,
-3.49035884e-04]))
('penalty', 10000)
('old_driving_force', -39031.042288651639, 0.00075624584439404341)
('sublsum', -1.4911549525992562)
(1.0, -39031.073165262023, 0.00075469376854586656)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13959363 0.74075469 0.11965168], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 8.36394076e-07, -1.55207585e-06, 7.15681772e-07,
0.00000000e+00, -4.34610336e-06, 2.03933045e-04,
-1.99586944e-04, 0.00000000e+00, 2.91113578e-03,
-2.91113578e-03]))
('conv_angle', 56.399504183539314)
('Site fractions', array([ 1.39593626e-01, 7.40754694e-01, 1.19651680e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41062.65605506, -36985.80713099, -47119.72814293]))
('Chem pot progress', array([-0.39873125, -0.64586269, -0.41568668]))
('Energy progress', -0.010497608251171187)
('Driving force', -273.53053885301051)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13959363 0.74075469 0.11965168], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('reduced_hessian eigenvalues', array([-92383.15435199, 5022.98772618, 94856.03983618]))
('reduced_hessian modified eigenvalues', array([ 5022.98772618, 92383.15435199, 94856.03983618]))
('NEW_L_MULTIPLIERS', array([ 8415.66029158, -26680.78106061, 299.95088286, 96.05275813,
-41062.67469079, -36985.83738436, -47119.74750217]))
('L_CONSTRAINTS', array([ -5.55111512e-17, 0.00000000e+00, 1.99997788e-12,
0.00000000e+00, -4.06373565e-04, 7.54693769e-04,
-3.48320202e-04]))
('penalty', 10000)
('old_driving_force', -39031.073156746272, 0.00075469376854586656)
('sublsum', -1.4911635844571403)
(1.0, -39031.074640922612, 0.00075461916336727608)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.13959367 0.74075462 0.11965171], NP=1.0), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12)])
('step', array([ 4.01700953e-08, -7.46051786e-08, 3.44350834e-08,
0.00000000e+00, -4.18813119e-06, 2.03586694e-04,
-1.99398565e-04, 0.00000000e+00, 2.91083057e-03,
-2.91083057e-03]))
('conv_angle', 56.39236981864034)
('Site fractions', array([ 1.39593667e-01, 7.40754619e-01, 1.19651714e-01,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e+00, 1.00000000e-12]))
('Chemical potentials', array([-41062.67469079, -36985.83738436, -47119.74750217]))
('Chem pot progress', array([-0.01863573, -0.03025338, -0.01935924]))
('Energy progress', -0.0005048017555964179)
('Driving force', -273.50320280076994)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.13959367 0.74075462 0.11965171], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8624.592575 , -26325.41553347, -41239.47019525, -37291.78444625,
-47304.54875879]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 0.00000000e+00, -4.06333395e-04,
7.54619162e-04, -3.48285767e-04]))
('penalty', 10000)
('old_driving_force', -39030.979969001695, 0.0007546191623672982)
('sublsum', -0.014488317724208319)
(1.0, -39046.079602785983, 0.0)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0)])
('step', array([ 4.06333395e-04, -7.54619162e-04, 3.48285767e-04,
0.00000000e+00, 3.35002171e-20]))
('conv_angle', 51.009455527950436)
('Site fractions', array([ 0.14, 0.74, 0.12, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41239.47019525, -37291.78444625, -47304.54875879]))
('Chem pot progress', array([-176.79550446, -305.94706189, -184.80125662]))
('Energy progress', -5.098630391010374)
('Driving force', -0.087434169756306801)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8624.67146456, -26325.41813961, -41239.57723835, -37291.86507229,
-47304.65529937]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 10000)
('old_driving_force', -39046.079602785983, 0.0)
('sublsum', 0.0)
(1.0, -39046.079602785983, 0.0)
(0.5, -39046.079602785983, 0.0)
(0.25, -39046.079602785983, 0.0)
(0.125, -39046.079602785983, 0.0)
(0.0625, -39046.079602785983, 0.0)
(0.03125, -39046.079602785983, 0.0)
(0, -39046.079602785983, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.14, 0.74, 0.12, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41239.57723835, -37291.86507229, -47304.65529937]))
('Chem pot progress', array([-0.10704309, -0.08062604, -0.10654059]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8624.67146456, -26325.41813961, -41239.57723835, -37291.86507229,
-47304.65529937]))
('L_CONSTRAINTS', array([ 0., 0., 0., 0., 0.]))
('penalty', 1000.0)
('old_driving_force', -39046.079602785983, 0.0)
('sublsum', 0.0)
(1.0, -39046.079602785983, 0.0)
(0.5, -39046.079602785983, 0.0)
(0.25, -39046.079602785983, 0.0)
(0.125, -39046.079602785983, 0.0)
(0.0625, -39046.079602785983, 0.0)
(0.03125, -39046.079602785983, 0.0)
(0, -39046.079602785983, 0.0)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0)])
('step', array([ 0., 0., 0., 0., 0.]))
('conv_angle', nan)
('Site fractions', array([ 0.14, 0.74, 0.12, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-41239.57723835, -37291.86507229, -47304.65529937]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0), 1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0), 0.0), (CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.14000001 0.74000001 0.11999998], NP=1.0), -2.1827872842550278e-11), (CompositionSet(BCC_A2, [ 0.14 0.74 0.12], NP=1.0), -7.275957614183426e-12)], 'LAVES_C36': [(CompositionSet(LAVES_C36, [ 0.62066005 0.34187425 0.0374657 ], NP=1.0), 132.60356043594948)], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 0.60120103 0.36088033 0.03791864], NP=1.0), 317.4874593948698)], 'HCP_A3': []})
---------------------------------------------------------------------------
ValueError Traceback (most recent call last)
<ipython-input-40-14a012fd3e1c> in <module>()
9 #conditions = {v.X('TI'): (0.1,1, 0.04), v.X('V'): (0.0, 1, 0.04), v.P: 101325, v.T: 873} # -39793
10 conditions = {v.X('TI'): (0.5,1, 0.04), v.X('V'): (0.0, 1, 0.04), v.P: 101325, v.T: 873}
---> 11 equilibrium(dbf, comps, phases, conditions, verbose=True)
/Users/brandon/Projects/pycalphad/pycalphad/core/equilibrium.py in equilibrium(dbf, comps, phases, conditions, output, model, verbose, broadcast, calc_opts, scheduler, parameters, **kwargs)
356 properties = delayed(properties.merge, pure=False)(eqcal, inplace=True, compat='equals')
357 if scheduler is not None:
--> 358 properties = dask.compute(properties, get=scheduler)[0]
359 properties.attrs['created'] = datetime.utcnow()
360 if len(kwargs) > 0:
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/base.py in compute(*args, **kwargs)
177 dsk = merge(var.dask for var in variables)
178 keys = [var._keys() for var in variables]
--> 179 results = get(dsk, keys, **kwargs)
180
181 results_iter = iter(results)
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in get_sync(dsk, keys, **kwargs)
521 queue = Queue()
522 return get_async(apply_sync, 1, dsk, keys, queue=queue,
--> 523 raise_on_exception=True, **kwargs)
524
525
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in get_async(apply_async, num_workers, dsk, result, cache, queue, get_id, raise_on_exception, rerun_exceptions_locally, callbacks, **kwargs)
488 f(key, res, dsk, state, worker_id)
489 while state['ready'] and len(state['running']) < num_workers:
--> 490 fire_task()
491
492 # Final reporting
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in fire_task()
459 # Submit
460 apply_async(execute_task, args=[key, dsk[key], data, queue,
--> 461 get_id, raise_on_exception])
462
463 # Seed initial tasks into the thread pool
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in apply_sync(func, args, kwds)
509 def apply_sync(func, args=(), kwds={}):
510 """ A naive synchronous version of apply_async """
--> 511 return func(*args, **kwds)
512
513
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in execute_task(key, task, data, queue, get_id, raise_on_exception)
265 """
266 try:
--> 267 result = _execute_task(task, data)
268 id = get_id()
269 result = key, result, None, id
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in _execute_task(arg, cache, dsk)
247 func, args = arg[0], arg[1:]
248 args2 = [_execute_task(a, cache) for a in args]
--> 249 return func(*args2)
250 elif not ishashable(arg):
251 return arg
/Users/brandon/Projects/pycalphad/pycalphad/core/eqsolver.pyx in pycalphad.core.eqsolver._solve_eq_at_conditions (pycalphad/core/eqsolver.c:23270)()
/Users/brandon/Projects/pycalphad/pycalphad/core/eqsolver.pyx in pycalphad.core.eqsolver.add_new_phases (pycalphad/core/eqsolver.c:9833)()
/Users/brandon/Projects/pycalphad/pycalphad/core/hyperplane.pyx in pycalphad.core.hyperplane.hyperplane (pycalphad/core/hyperplane.c:4073)()
ValueError: ('Max hull iterations exceeded. Remaining driving force: ', -3.871809894917533e-08)
In [ ]:
%matplotlib inline
from matplotlib import pyplot as plt
from pycalphad import Database, equilibrium, variables as v
from time import time
dbfile = '/Users/brandon/Box Sync/databases/nims-databases/Cr-Ti-V.tdb'
dbf = Database(dbfile)
comps = ['CR', 'TI', 'V', 'VA']
phases = list(dbf.phases.keys())
#conditions = {v.X('TI'): (0.1,1, 0.04), v.X('V'): (0.0, 1, 0.04), v.P: 101325, v.T: 873} # -39793
conditions = {v.X('TI'): (0.5,1, 0.04), v.X('V'): (0.0, 1, 0.04), v.P: 101325, v.T: 873}
equilibrium(dbf, comps, phases, conditions, verbose=True)
In [43]:
%matplotlib inline
from matplotlib import pyplot as plt
from pycalphad import Database, equilibrium, variables as v
from time import time
dbfile = '/Users/brandon/Box Sync/databases/nims-databases/Cr-Ti-V.tdb'
dbf = Database(dbfile)
comps = ['CR', 'TI', 'V', 'VA']
import numpy as np
phases = list(dbf.phases.keys())
conditions = {v.X('TI'): 0.7, v.X('V'): 0.08, v.P: 101325, v.T: 873}
equilibrium(dbf, comps, phases, conditions, verbose=True)
Calculation Backend: Compiled (autowrap)
Components: CR TI V VA
Phases: BCC_A2 HCP_A3 LAVES_C14 LAVES_C15 LAVES_C36 LIQUID [done]
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.92592593e-01 4.07407407e-01 1.00000000e-12], NP=0.1698454988461324), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.09091405367343551), CompositionSet(BCC_A2, [ 0.1614506 0.73033021 0.10821919], NP=0.7392404474804323)])
('reduced_hessian eigenvalues', array([ -9.35555842e+01, 2.63716672e+03, 7.34835746e+03,
9.45520023e+13, 1.50880519e+14, 2.83273159e+14,
3.71086120e+14, 4.52127157e+14]))
('reduced_hessian modified eigenvalues', array([ 9.36119157e+01, 2.63710806e+03, 7.34838927e+03,
9.45520023e+13, 1.50880519e+14, 2.83273159e+14,
3.71086120e+14, 4.52127157e+14]))
('NEW_L_MULTIPLIERS', array([ 1119.36911679, 4228.36452636, -10806.09864172, 49436.7410664 ,
22101.91951702, -71468.68284031, -40784.31179058, -37035.98269442,
-56564.00520976]))
('L_CONSTRAINTS', array([ -1.86045099e-16, -1.99922887e-16, -1.99922887e-16,
0.00000000e+00, -1.38777878e-17, 0.00000000e+00,
0.00000000e+00, 1.11022302e-16, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -38877.441584370004, 1.9992288680364425e-16)
('sublsum', -773.12325259891827)
(1.0, -32832.10507939454, 0.30000000000146687)
(0.5, -34526.129460600612, 0.23781870035898778)
(0.25, -36550.40915897314, 0.16979519781956143)
(0.125, -37662.797858529128, 0.11915583853618006)
(0.0625, -38792.486883353755, 0.011080696692249536)
(0.03125, -38889.196045920362, 0.00076004893197989531)
('alpha', 0.03125)
('Phases', [CompositionSet(LAVES_C15, [ 5.90738131e-01 4.09261869e-01 1.00000000e-12], NP=0.15918950839059595), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.04143677635789113), CompositionSet(BCC_A2, [ 0.15728563 0.74329824 0.09941613], NP=0.7993737152515131)])
('step', array([ -8.90141369e-02, 8.90141370e-02, -3.67062453e-11,
-2.00583381e-11, 4.99099204e-11, -2.98513200e-11,
-5.24027252e-10, 1.07005822e-09, -5.46031187e-10,
0.00000000e+00, -1.33279261e-01, 4.14976979e-01,
-2.81697717e-01, 0.00000000e+00, -3.40991695e-01,
-1.58327287e+00, 1.92426457e+00]))
('conv_angle', 89.79776732441249)
('Site fractions', array([ 8.86107197e-01, 1.13892803e-01, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.57285625e-01, 7.43298242e-01,
9.94161330e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.15918951, 0.04143678, 0.79937372]))
('Chemical potentials', array([-40784.31179058, -37035.98269442, -56564.00520976]))
('Chem pot progress', array([ 603.09879796, -288.9259566 , -5948.11097951]))
('Energy progress', -15.753445324575296)
('Driving force', 518.45987218480877)
('Composition Sets', [CompositionSet(LAVES_C15, [ 5.90738131e-01 4.09261869e-01 1.00000000e-12], NP=0.15918950839059595), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.04143677635789113), CompositionSet(BCC_A2, [ 0.15728563 0.74329824 0.09941613], NP=0.7993737152515131)])
('reduced_hessian eigenvalues', array([ -8.42443784e+02, 2.34981063e+03, 7.17174080e+03,
6.93551800e+13, 8.87081258e+13, 2.07965079e+14,
2.65899737e+14, 3.50012665e+14]))
('reduced_hessian modified eigenvalues', array([ 8.42437928e+02, 2.34980974e+03, 7.17175571e+03,
6.93551800e+13, 8.87081258e+13, 2.07965079e+14,
2.65899737e+14, 3.50012665e+14]))
('NEW_L_MULTIPLIERS', array([ -1205.86044506, -4319.34053693, -861.09764171, 3736.35810387,
7942.45623166, -25231.16025878, -42373.47010455, -36909.29646803,
-47771.87770541]))
('L_CONSTRAINTS', array([ 1.14685475e-12, 1.55944138e-12, 1.99997788e-12,
0.00000000e+00, 9.71445147e-17, 0.00000000e+00,
-2.30692550e-04, 7.60048932e-04, -5.29356381e-04]))
('penalty', 10000)
('old_driving_force', -38885.004771838554, 0.00076004893197989531)
('sublsum', -193.8734426569564)
(1.0, -37533.127304432441, 0.12621820700173769)
(0.5, -38548.015722427459, 0.03868429303661336)
(0.25, -38919.582663747016, 0.001151425059618294)
('alpha', 0.25)
('Phases', [CompositionSet(LAVES_C15, [ 6.14872349e-01 3.85127651e-01 9.90618126e-12], NP=0.16211497243643985), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0027290306171850534), CompositionSet(BCC_A2, [ 0.14334914 0.76151933 0.09513153], NP=0.8351559969464489)])
('step', array([ 1.44805306e-01, -1.44805306e-01, 3.81484640e-11,
2.14076136e-11, -5.35444062e-11, 3.05772471e-11,
-8.82166499e-11, 1.72257830e-10, -8.60411583e-11,
0.00000000e+00, -5.57459552e-02, 7.28843570e-02,
-1.71384018e-02, 0.00000000e+00, 1.17018562e-02,
-1.54830983e-01, 1.43129127e-01]))
('conv_angle', 88.46881504278565)
('Site fractions', array([ 9.22308524e-01, 7.76914763e-02, 1.05371160e-11,
6.35190339e-12, 1.00000000e+00, 8.64431179e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.43349137e-01, 7.61519331e-01,
9.51315326e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.16211497, 0.00272903, 0.835156 ]))
('Chemical potentials', array([-42373.47010455, -36909.29646803, -47771.87770541]))
('Chem pot progress', array([-1589.15831397, 126.68622639, 8792.12750435]))
('Energy progress', -40.15364283663075)
('Driving force', 37.8100020674392)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.14872349e-01 3.85127651e-01 9.90618126e-12], NP=0.16211497243643985), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0027290306171850534), CompositionSet(BCC_A2, [ 0.14334914 0.76151933 0.09513153], NP=0.8351559969464489)])
('reduced_hessian eigenvalues', array([ 4.46456395e+02, 3.89343994e+03, 8.50166182e+03,
4.57677544e+12, 1.37303023e+13, 1.72840787e+13,
4.89565008e+13, 5.43895215e+13]))
('NEW_L_MULTIPLIERS', array([ -905.93107499, -3121.6072806 , -2441.54492526, 10867.32368692,
9922.92239094, -32148.4761443 , -41659.13591996, -36747.05577181,
-51310.29274292]))
('L_CONSTRAINTS', array([ 8.60190063e-13, 1.16962425e-12, 1.99997788e-12,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-6.01094994e-04, 1.15142506e-03, -5.50330066e-04]))
('penalty', 10000)
('old_driving_force', -38921.287385225973, 0.001151425059618294)
('sublsum', -144.7594778295913)
(1.0, -36482.972200633551, 0.18966235922116914)
(0.5, -37317.778371026041, 0.15658228013220343)
(0.25, -38120.027402641885, 0.083003249157682313)
(0.125, -38544.718951472183, 0.040225841781000082)
(0.0625, -38749.216837186337, 0.019202373107327309)
(0.03125, -38849.535084471499, 0.0087819475241579514)
(0, -38921.287385225973, 0.001151425059618294)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 6.14872349e-01 3.85127651e-01 9.90618126e-12], NP=0.16211497243643985), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0027290306171850534), CompositionSet(BCC_A2, [ 0.14334914 0.76151933 0.09513153], NP=0.8351559969464489)])
('step', array([ 3.86175350e-02, -3.86175352e-02, 1.78821469e-10,
5.94845425e-11, -1.77926962e-10, 1.17272771e-10,
-3.82948664e-09, 7.90159662e-09, -4.07410999e-09,
0.00000000e+00, -4.13802338e-02, 8.25034002e-02,
-4.11231664e-02, 0.00000000e+00, -3.51204416e-02,
-3.31683164e-01, 3.66803605e-01]))
('conv_angle', 89.358796949372461)
('Site fractions', array([ 9.22308524e-01, 7.76914763e-02, 1.05371160e-11,
6.35190339e-12, 1.00000000e+00, 8.64431179e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.43349137e-01, 7.61519331e-01,
9.51315326e-02, 1.00000000e+00]))
('Phase fractions', array([ 0.16211497, 0.00272903, 0.835156 ]))
('Chemical potentials', array([-41659.13591996, -36747.05577181, -51310.29274292]))
('Chem pot progress', array([ 714.33418458, 162.24069622, -3538.41503751]))
('Energy progress', 0.0)
('Driving force', 48.456475626393512)
('Composition Sets', [CompositionSet(LAVES_C15, [ 6.14872349e-01 3.85127651e-01 9.90618126e-12], NP=0.16211497243643985), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=0.0027290306171850534), CompositionSet(BCC_A2, [ 0.14334914 0.76151933 0.09513153], NP=0.8351559969464489)])
('reduced_hessian eigenvalues', array([ -5.25172181e+00, 3.93388283e+03, 8.28720491e+03,
4.57677544e+12, 1.37303023e+13, 1.72840787e+13,
4.89565008e+13, 5.43895215e+13]))
('reduced_hessian modified eigenvalues', array([ 5.25295878e+00, 3.93387771e+03, 8.28720535e+03,
4.57677544e+12, 1.37303023e+13, 1.72840787e+13,
4.89565008e+13, 5.43895215e+13]))
('NEW_L_MULTIPLIERS', array([ 35829.90163072, 127805.33633421, -176724.53539448,
806324.14030158, 251528.01229684, -822187.35916907,
-36504.40278557, -37002.57161944, -173162.81680812]))
('L_CONSTRAINTS', array([ 8.60190063e-13, 1.16962425e-12, 1.99997788e-12,
0.00000000e+00, 5.55111512e-17, 0.00000000e+00,
-6.01094994e-04, 1.15142506e-03, -5.50330066e-04]))
('penalty', 1000.0)
('old_driving_force', -39005.679452090502, 0.001151425059618294)
('sublsum', -8002.0561721167178)
(1.0, -45740.461950679797, 0.300000000002)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0)])
('step', array([ -1.43150068e+00, 1.43150069e+00, -7.59120765e-09,
-2.43604475e-09, 7.44952714e-09, -5.01465140e-09,
-2.84421040e-07, 5.79367197e-07, -2.94948156e-07,
0.00000000e+00, -9.54884955e-01, 4.34094822e+00,
-3.38606327e+00, 0.00000000e+00, -5.38201409e+00,
-2.43498876e+01, 2.97319017e+01]))
('conv_angle', 89.990761583271507)
('Site fractions', array([ 1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e-12, 1.00000000e+00, 1.00000000e-12,
1.00000000e+00, 1.00000000e-12, 1.00000000e+00,
1.00000000e-12, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e-12, 1.00000000e-12, 1.00000000e+00]))
('Chemical potentials', array([ -36504.40278557, -37002.57161944, -173162.81680812]))
('Chem pot progress', array([ 5154.7331344 , -255.51584763, -121852.5240652 ]))
('Energy progress', 3376.109193678065)
('Driving force', 1445.3321408723932)
('Composition Sets', [CompositionSet(LAVES_C15, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(HCP_A3, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1e-12), CompositionSet(BCC_A2, [ 1.00000000e-12 1.00000000e+00 1.00000000e-12], NP=1.0)])
('reduced_hessian eigenvalues', array([-109983.28494995, -60379.19386669, 603.2074116 ,
1658.93227169, 2416.0378329 , 3359.32297988,
62808.00517844, 112933.63809998]))
('reduced_hessian modified eigenvalues', array([ 603.2074116 , 1658.93227169, 2416.0378329 ,
3359.32297988, 60379.19386669, 62808.00517844,
109983.28494995, 112933.63809998]))
('NEW_L_MULTIPLIERS', array([ 1.86543170e+04, 1.11026430e+04, 1.23210752e+04,
6.64815637e+03, 2.78243137e+04, -7.02837564e+04,
1.10687486e+15, -5.17724029e+04, 4.02499948e+14]))
('L_CONSTRAINTS', array([ 1.99997788e-12, 1.99997788e-12, 1.99997788e-12,
0.00000000e+00, 1.99997788e-12, 0.00000000e+00,
-2.20000000e-01, 3.00000000e-01, -8.00000000e-02]))
('penalty', 10000)
('old_driving_force', 275712464769945.09, 0.300000000002)
('sublsum', -275712464857543.66)
(1.0, -39927.237237187896, 0.10898146238945319)
('alpha', 1.0)
('Phases', [CompositionSet(LAVES_C15, [ 0.05219216 0.87596675 0.14449539], NP=1e-12), CompositionSet(HCP_A3, [ 1.00000000e-12 8.82959720e-01 1.57626177e-01], NP=1e-12), CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0)])
('step', array([-0.10898146, -0.06327894, 0.1722604 , 0.15657649, -0.24554187,
0.08896538, -0.0405859 , -0.11704028, 0.15762618, 0. ,
0.22 , -0.3 , 0.08 , 0. , -0.31651209,
-0.20152023, 0.51803232]))
('conv_angle', 74.125330171074097)
('Site fractions', array([ 1.00000000e-12, 9.36721065e-01, 1.72260398e-01,
1.56576488e-01, 7.54458133e-01, 8.89653793e-02,
1.00000000e-12, 8.82959720e-01, 1.57626177e-01,
1.00000000e+00, 2.20000000e-01, 7.00000000e-01,
8.00000000e-02, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e-12, 1.00000000e-12, 1.00000000e+00]))
('Chemical potentials', array([ 1.10687486e+15, -5.17724029e+04, 4.02499948e+14]))
('Chem pot progress', array([ 1.10687486e+15, -1.47698313e+04, 4.02499949e+14]))
('Energy progress', -3207.3673680377105)
('Driving force', -275712464788129.16)
('Composition Sets', [CompositionSet(LAVES_C15, [ 0.05219216 0.87596675 0.14449539], NP=1e-12), CompositionSet(HCP_A3, [ 1.00000000e-12 8.82959720e-01 1.57626177e-01], NP=1e-12), CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0)])
('reduced_hessian eigenvalues', array([ -7.04596003e+14, -2.59499700e+14, -6.17927018e-02,
2.66672720e-04, 4.32787545e+02, 6.78061826e+02,
4.86357843e+14, 7.30006612e+14]))
('reduced_hessian modified eigenvalues', array([ 5.55323318e-02, 1.52176901e-01, 4.32791216e+02,
6.77994043e+02, 2.59499700e+14, 4.86357843e+14,
7.04596003e+14, 7.30006612e+14]))
('NEW_L_MULTIPLIERS', array([ 1.30161410e+13, 6.50807052e+12, 3.59841134e+12,
2.26881529e+11, -3.38490915e+13, -2.58382807e+13,
-2.24606772e+13, 3.52119424e+13, 1.47344520e+13]))
('L_CONSTRAINTS', array([ 1.08981462e-01, 2.77555756e-17, 4.05858971e-02,
0.00000000e+00, -1.38777878e-16, 0.00000000e+00,
1.13187237e-13, 1.99995576e-12, -4.16333634e-17]))
('penalty', 10000)
('old_driving_force', -1564562874705.7666, 0.10898146238945319)
('sublsum', 1564562837101.6934)
(1.0, -1238422768383.885, 0.052408568767892488)
(0.5, -1401492821545.2434, 0.080695015578672896)
(0.25, -1483027848125.6069, 0.094838238984062989)
(0.125, -1523795361415.7114, 0.10190985068675815)
(0.0625, -1544179118060.7454, 0.10544565653810567)
(0.03125, -1554370996383.2598, 0.10721355946377942)
(0, -1564562874705.7666, 0.10898146238945319)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(LAVES_C15, [ 0.05219216 0.87596675 0.14449539], NP=1e-12), CompositionSet(HCP_A3, [ 1.00000000e-12 8.82959720e-01 1.57626177e-01], NP=1e-12), CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0)])
('step', array([-0.05240857, -0.00496618, -0.05160671, 0.02311418, -0.01256448,
-0.0105497 , -0.03002138, -0.01556654, 0.00500203, 0. ,
-0.00876953, 0.00596031, 0.00280922, 0. , -0.03880589,
-0.00715212, 0.0490677 ]))
('conv_angle', 100.19389240121117)
('Site fractions', array([ 1.00000000e-12, 9.36721065e-01, 1.72260398e-01,
1.56576488e-01, 7.54458133e-01, 8.89653793e-02,
1.00000000e-12, 8.82959720e-01, 1.57626177e-01,
1.00000000e+00, 2.20000000e-01, 7.00000000e-01,
8.00000000e-02, 1.00000000e+00]))
('Phase fractions', array([ 1.00000000e-12, 1.00000000e-12, 1.00000000e+00]))
('Chemical potentials', array([ -2.24606772e+13, 3.52119424e+13, 1.47344520e+13]))
('Chem pot progress', array([ -1.12933554e+15, 3.52119424e+13, -3.87765496e+14]))
('Energy progress', 0.0)
('Driving force', -20885766892715.602)
Removing CompositionSet(HCP_A3, [ 1.00000000e-12 8.82959720e-01 1.57626177e-01], NP=nan)
Removing CompositionSet(LAVES_C15, [ 0.05219216 0.87596675 0.14449539], NP=nan)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8611.67863773, -25809.24934117, -38212.58516708, -37589.9336589 ,
-50527.75194443]))
('L_CONSTRAINTS', array([ -1.38777878e-16, 0.00000000e+00, 6.10067552e-14,
2.41029419e-13, -3.02161074e-13]))
('penalty', 1000.0)
('old_driving_force', -38764.606846821727, 3.0216107393954417e-13)
('sublsum', 7.3943593899036551e-17)
(1.0, -38764.606846822324, 4.163336342344337e-17)
('alpha', 1.0)
('Phases', [CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0)])
('step', array([ -6.10037021e-14, -2.41019704e-13, 3.02162184e-13,
0.00000000e+00, -1.38777878e-17]))
('conv_angle', 90.002873286102101)
('Site fractions', array([ 0.22, 0.7 , 0.08, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-38212.58516708, -37589.9336589 , -50527.75194443]))
('Chem pot progress', array([ 2.24606772e+13, -3.52119424e+13, -1.47344520e+13]))
('Energy progress', -3.8708094507455826e-09)
('Driving force', -2.664393281134835)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8614.34274117, -25809.24963102, -38215.24895881, -37592.59825099,
-50530.41625235]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 10000)
('old_driving_force', -38764.606846822324, 4.163336342344337e-17)
('sublsum', 1.6357819730662906e-28)
(1.0, -38764.606846822324, 4.163336342344337e-17)
(0.5, -38764.606846822324, 4.163336342344337e-17)
(0.25, -38764.606846822324, 4.163336342344337e-17)
(0.125, -38764.606846822324, 4.163336342344337e-17)
(0.0625, -38764.606846822324, 4.163336342344337e-17)
(0.03125, -38764.606846822324, 4.163336342344337e-17)
(0, -38764.606846822324, 4.163336342344337e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0)])
('step', array([ -9.15933995e-18, -2.91433544e-17, -3.33066907e-18,
0.00000000e+00, 4.16333634e-17]))
('conv_angle', 110.77760244046381)
('Site fractions', array([ 0.22, 0.7 , 0.08, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-38215.24895881, -37592.59825099, -50530.41625235]))
('Chem pot progress', array([-2.66379173, -2.6645921 , -2.66430791]))
('Energy progress', 0.0)
('Driving force', 0.0)
('Composition Sets', [CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0)])
('NEW_L_MULTIPLIERS', array([ 8614.34274117, -25809.24963102, -38215.24895881, -37592.59825099,
-50530.41625235]))
('L_CONSTRAINTS', array([ 4.16333634e-17, 0.00000000e+00, 0.00000000e+00,
0.00000000e+00, 0.00000000e+00]))
('penalty', 1000.0)
('old_driving_force', -38764.606846822324, 4.163336342344337e-17)
('sublsum', 1.6357819730662906e-28)
(1.0, -38764.606846822324, 4.163336342344337e-17)
(0.5, -38764.606846822324, 4.163336342344337e-17)
(0.25, -38764.606846822324, 4.163336342344337e-17)
(0.125, -38764.606846822324, 4.163336342344337e-17)
(0.0625, -38764.606846822324, 4.163336342344337e-17)
(0.03125, -38764.606846822324, 4.163336342344337e-17)
(0, -38764.606846822324, 4.163336342344337e-17)
Decreasing constraint penalty because alpha is zero
('alpha', 0)
('Phases', [CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0)])
('step', array([ -9.15933995e-18, -2.91433544e-17, -3.33066907e-18,
0.00000000e+00, 4.16333634e-17]))
('conv_angle', 110.77760244046381)
('Site fractions', array([ 0.22, 0.7 , 0.08, 1. ]))
('Phase fractions', array([ 1.]))
('Chemical potentials', array([-38215.24895881, -37592.59825099, -50530.41625235]))
('Chem pot progress', array([ 0., 0., 0.]))
('Energy progress', 0.0)
('Driving force', 0.0)
Candidates to add:
defaultdict(<class 'list'>, {'LAVES_C14': [(CompositionSet(LAVES_C14, [ 0.66666667 0.33333333 0. ], NP=1.0), 1454.7565379485677), (CompositionSet(LAVES_C14, [ 0.66666667 0.33333333 0. ], NP=1.0), 1454.7565379485677), (CompositionSet(LAVES_C14, [ 0.66666667 0.33333333 0. ], NP=1.0), 1454.7565379485677), (CompositionSet(LAVES_C14, [ 0.66666667 0.33333333 0. ], NP=1.0), 1454.7565379485677), (CompositionSet(LAVES_C14, [ 0.66666667 0.33333333 0. ], NP=1.0), 1454.756538460002)], 'BCC_A2': [(CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.22000001 0.70000002 0.07999997], NP=1.0), -4.3655745685100555e-11), (CompositionSet(BCC_A2, [ 0.21999999 0.70000004 0.07999997], NP=1.0), -6.548361852765083e-11), (CompositionSet(BCC_A2, [ 0.22000002 0.7 0.07999998], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.22000003 0.69999999 0.07999998], NP=1.0), -5.093170329928398e-11), (CompositionSet(BCC_A2, [ 0.22000002 0.70000004 0.07999994], NP=1.0), -1.6007106751203537e-10), (CompositionSet(BCC_A2, [ 0.21999994 0.70000004 0.08000002], NP=1.0), -8.731149137020111e-11), (CompositionSet(BCC_A2, [ 0.22 0.70000002 0.07999998], NP=1.0), -1.4551915228366852e-11), (CompositionSet(BCC_A2, [ 0.22 0.7 0.08], NP=1.0), -2.1827872842550278e-11)], 'LAVES_C36': [(CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.03086370e-11], NP=1.0), 1724.6360362269697), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1724.6360314516205), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1724.6360314516205), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1724.6360314516205), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1724.6360314516205), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1724.6360314516205), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1724.6360314516205), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1724.6360314516205), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1724.6360314516205), (CompositionSet(LAVES_C36, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1724.6360314516205)], 'LIQUID': [], 'LAVES_C15': [(CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 3.28019791e-11], NP=1.0), 1787.165926706286), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1787.1659214603133), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1787.1659214603133), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1787.1659214603133), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1787.1659214603133), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1787.1659214603133), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1787.1659214603133), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1787.1659214603133), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1787.1659214603133), (CompositionSet(LAVES_C15, [ 6.66666667e-01 3.33333333e-01 1.00000000e-12], NP=1.0), 1787.1659214603133)], 'HCP_A3': []})
---------------------------------------------------------------------------
ValueError Traceback (most recent call last)
<ipython-input-43-90ff3312d790> in <module>()
9 phases = list(dbf.phases.keys())
10 conditions = {v.X('TI'): 0.7, v.X('V'): 0.08, v.P: 101325, v.T: 873}
---> 11 equilibrium(dbf, comps, phases, conditions, verbose=True)
12
13
/Users/brandon/Projects/pycalphad/pycalphad/core/equilibrium.py in equilibrium(dbf, comps, phases, conditions, output, model, verbose, broadcast, calc_opts, scheduler, parameters, **kwargs)
356 properties = delayed(properties.merge, pure=False)(eqcal, inplace=True, compat='equals')
357 if scheduler is not None:
--> 358 properties = dask.compute(properties, get=scheduler)[0]
359 properties.attrs['created'] = datetime.utcnow()
360 if len(kwargs) > 0:
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/base.py in compute(*args, **kwargs)
177 dsk = merge(var.dask for var in variables)
178 keys = [var._keys() for var in variables]
--> 179 results = get(dsk, keys, **kwargs)
180
181 results_iter = iter(results)
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in get_sync(dsk, keys, **kwargs)
521 queue = Queue()
522 return get_async(apply_sync, 1, dsk, keys, queue=queue,
--> 523 raise_on_exception=True, **kwargs)
524
525
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in get_async(apply_async, num_workers, dsk, result, cache, queue, get_id, raise_on_exception, rerun_exceptions_locally, callbacks, **kwargs)
488 f(key, res, dsk, state, worker_id)
489 while state['ready'] and len(state['running']) < num_workers:
--> 490 fire_task()
491
492 # Final reporting
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in fire_task()
459 # Submit
460 apply_async(execute_task, args=[key, dsk[key], data, queue,
--> 461 get_id, raise_on_exception])
462
463 # Seed initial tasks into the thread pool
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in apply_sync(func, args, kwds)
509 def apply_sync(func, args=(), kwds={}):
510 """ A naive synchronous version of apply_async """
--> 511 return func(*args, **kwds)
512
513
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in execute_task(key, task, data, queue, get_id, raise_on_exception)
265 """
266 try:
--> 267 result = _execute_task(task, data)
268 id = get_id()
269 result = key, result, None, id
/Users/brandon/.virtualenvs/pycalphad/lib/python3.5/site-packages/dask/async.py in _execute_task(arg, cache, dsk)
247 func, args = arg[0], arg[1:]
248 args2 = [_execute_task(a, cache) for a in args]
--> 249 return func(*args2)
250 elif not ishashable(arg):
251 return arg
/Users/brandon/Projects/pycalphad/pycalphad/core/eqsolver.pyx in pycalphad.core.eqsolver._solve_eq_at_conditions (pycalphad/core/eqsolver.c:23270)()
/Users/brandon/Projects/pycalphad/pycalphad/core/eqsolver.pyx in pycalphad.core.eqsolver.add_new_phases (pycalphad/core/eqsolver.c:9833)()
/Users/brandon/Projects/pycalphad/pycalphad/core/hyperplane.pyx in pycalphad.core.hyperplane.hyperplane (pycalphad/core/hyperplane.c:4073)()
ValueError: ('Max hull iterations exceeded. Remaining driving force: ', -39793.86464999274)
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