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_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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 09:16:11      -33.556937        1.0213
BFGS:    1 09:16:11      -33.597390        0.9783
BFGS:    2 09:16:11      -33.710099        0.6586
BFGS:    3 09:16:11      -33.771793        0.3692
BFGS:    4 09:16:11      -33.808809        0.3448
BFGS:    5 09:16:11      -33.852101        0.4640
BFGS:    6 09:16:11      -33.910135        0.5670
BFGS:    7 09:16:11      -33.975175        0.5763
BFGS:    8 09:16:11      -34.031056        0.4262
BFGS:    9 09:16:11      -34.052118        0.3505
BFGS:   10 09:16:11      -34.053961        0.2656
BFGS:   11 09:16:11      -34.057292        0.1981
BFGS:   12 09:16:11      -34.067551        0.1667
BFGS:   13 09:16:11      -34.073258        0.0995
BFGS:   14 09:16:11      -34.074320        0.0402
BFGS:   15 09:16:11      -34.074526        0.0068
BFGS:   16 09:16:11      -34.074533        0.0004
BFGS:   17 09:16:11      -34.074533        0.0000
BFGS:   18 09:16:11      -34.074533        0.0000
BFGS:   19 09:16:11      -34.074533        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.3438373717692586e-30 eV/Angstrom
Maximum stress component: 4.731359556083237e-12 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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.52224613e-34]
 [1.24644527e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.412013787495121, -1.0591040371181283e-36, 2.8960195876936567e-32], [-3.9933680830914695e-37, 3.412013787495121, -3.646195122419249e-17], [1.1399514941731562e-32, -7.003701485599988e-17, 6.8140650037297075]])
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]
 [ 2.24816038e-63 -2.10281585e-32  1.34383737e-30]
 [ 2.24815792e-63 -1.38123657e-47  1.34383737e-30]
 [ 5.97164486e-64  2.10281585e-32  3.56956802e-31]
 [ 1.36997123e-63 -8.41691037e-48  8.18900898e-31]]
stress =  [-6.58753602e-13 -6.58753602e-13 -4.73135956e-12  4.90302833e-28
  1.59046701e-33 -1.77092889e-49]
energy per atom =  -4.259316581207796
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0