element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_tI8_139_ad_b
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:
['3.5246', '2.3552176']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.5246, 0, 0], [0, 3.5246, 0], [0, 0, 8.3012]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:55:38      -32.424978         2.189204
BFGS:    1 16:55:38      -32.571687         1.913099
BFGS:    2 16:55:38      -32.780005         1.410121
BFGS:    3 16:55:38      -32.943071         0.994347
BFGS:    4 16:55:38      -33.047187         0.548585
BFGS:    5 16:55:38      -33.079200         0.210590
BFGS:    6 16:55:38      -33.080010         0.196284
BFGS:    7 16:55:38      -33.089603         0.100798
BFGS:    8 16:55:38      -33.093354         0.044009
BFGS:    9 16:55:38      -33.093564         0.012339
BFGS:   10 16:55:38      -33.093582         0.000084
BFGS:   11 16:55:38      -33.093582         0.000002
BFGS:   12 16:55:38      -33.093582         0.000000
BFGS:   13 16:55:38      -33.093582         0.000000
Minimization converged after 13 steps.
Maximum force component: 7.045710026972078e-31 eV/Angstrom
Maximum stress component: 6.065170296059144e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [3.85185989e-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]
 [1.00252802e-49 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.412511926371428, 2.6108108422515928e-36, 3.4540705579452e-35], [1.624952140052263e-36, 3.4125119263714287, -3.122670320040007e-17], [4.540913023646662e-33, -7.188105458231615e-17, 8.165941526605906]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.20624570e-32  6.30936855e-32  7.04571003e-31]
 [ 4.20624570e-32  6.30936855e-32  2.51632501e-31]
 [ 4.20624570e-32 -4.20624570e-32  1.00653000e-31]
 [ 4.20624570e-32 -4.20624570e-32 -5.03265002e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 5.37447496e-12  5.37447496e-12  6.06517030e-12 -5.66203564e-28
 -1.10580876e-34 -9.64824198e-51]
energy per atom =  -4.136697795664439
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0