element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_tI8_139_a_bd
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6204', '1.9276323']
model name:
EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6204, 0, 0], [0, 3.6204, 0], [0, 0, 6.9788]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:54:10      -35.377391         0.595442
BFGS:    1 16:54:10      -35.388492         0.559413
BFGS:    2 16:54:10      -35.438142         0.342979
BFGS:    3 16:54:10      -35.461541         0.126608
BFGS:    4 16:54:10      -35.464116         0.166388
BFGS:    5 16:54:10      -35.464599         0.169706
BFGS:    6 16:54:10      -35.471315         0.157937
BFGS:    7 16:54:10      -35.474914         0.098156
BFGS:    8 16:54:10      -35.476855         0.028597
BFGS:    9 16:54:10      -35.477076         0.003993
BFGS:   10 16:54:10      -35.477082         0.000293
BFGS:   11 16:54:10      -35.477082         0.000025
BFGS:   12 16:54:10      -35.477082         0.000001
BFGS:   13 16:54:10      -35.477082         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.1126541072502505e-31 eV/Angstrom
Maximum stress component: 6.510148019507306e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 4.35553783e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [3.06954223e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.17776892e-34 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 6.53330675e-34 7.50000000e-01]]
cellpar =  Cell([[3.537436739486999, 1.780881235927353e-35, 3.592083529134032e-32], [9.549070093935776e-36, 3.5374367394869988, 3.654067279908461e-18], [-4.3783664584396396e-33, 7.324465784081442e-18, 7.042189168967758]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.36022742e-32  2.18011371e-32 -2.17004208e-32]
 [-2.18011371e-32 -2.18011371e-32  1.51902946e-31]
 [-4.36022742e-32 -2.18011371e-32 -1.71568952e-31]
 [-2.18011371e-32  2.18011371e-32 -3.11265411e-31]]
stress =  [ 6.51014802e-10  6.51014802e-10  1.77139168e-10  7.22771624e-26
 -2.47396810e-34 -9.09235287e-62]
energy per atom =  -4.4346352434403835
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0