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 18:16:23      -32.424978        2.1892
BFGS:    1 18:16:23      -32.571687        1.9131
BFGS:    2 18:16:23      -32.780005        1.4101
BFGS:    3 18:16:23      -32.943071        0.9943
BFGS:    4 18:16:23      -33.047187        0.5486
BFGS:    5 18:16:23      -33.079200        0.2106
BFGS:    6 18:16:23      -33.080010        0.1963
BFGS:    7 18:16:23      -33.089603        0.1008
BFGS:    8 18:16:23      -33.093354        0.0440
BFGS:    9 18:16:23      -33.093564        0.0123
BFGS:   10 18:16:23      -33.093582        0.0001
BFGS:   11 18:16:23      -33.093582        0.0000
BFGS:   12 18:16:23      -33.093582        0.0000
BFGS:   13 18:16:23      -33.093582        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.8117540069356797e-30 eV/Angstrom
Maximum stress component: 6.069463180897465e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni']
basis =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.   0.5  0.25]
 [0.5  0.   0.25]
 [0.   0.5  0.75]
 [0.5  0.   0.75]
 [0.   0.   0.5 ]
 [0.5  0.5  0.  ]]
cellpar =  Cell([[3.412511926371428, 1.3082258410105417e-36, 3.1430167069434e-33], [1.1647859519667895e-36, 3.412511926371428, 2.68486011673627e-18], [-2.654860897862867e-33, 6.183418540827018e-18, 8.165941526605916]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.31445178e-33 -6.57225890e-34 -5.17085250e-52]
 [ 1.31445178e-33  1.37189732e-48  1.81175401e-30]
 [ 1.31445178e-33  6.57225890e-34 -1.56012151e-30]
 [ 1.31445178e-33  5.71623884e-49  7.54897503e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 5.37636703e-12  5.37636703e-12  6.06946318e-12  4.48996450e-27
 -9.55132744e-45 -7.61245352e-60]
energy per atom =  -4.1366977956644355
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0