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_2020_FeNiCrCoAl__MO_820335782779_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 09:16:06      -35.377391        0.5954
BFGS:    1 09:16:06      -35.388492        0.5594
BFGS:    2 09:16:06      -35.438142        0.3430
BFGS:    3 09:16:06      -35.461541        0.1266
BFGS:    4 09:16:06      -35.464116        0.1664
BFGS:    5 09:16:06      -35.464599        0.1697
BFGS:    6 09:16:06      -35.471315        0.1579
BFGS:    7 09:16:06      -35.474914        0.0982
BFGS:    8 09:16:06      -35.476855        0.0286
BFGS:    9 09:16:06      -35.477076        0.0040
BFGS:   10 09:16:06      -35.477082        0.0003
BFGS:   11 09:16:06      -35.477082        0.0000
BFGS:   12 09:16:06      -35.477082        0.0000
BFGS:   13 09:16:06      -35.477082        0.0000
Minimization converged after 13 steps.
Maximum force component: 6.5915028153534735e-31 eV/Angstrom
Maximum stress component: 6.510150937283751e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [0.0000000e+00 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 2.5000000e-01]
 [5.0000000e-01 0.0000000e+00 2.5000000e-01]
 [6.1521557e-33 5.0000000e-01 7.5000000e-01]
 [5.0000000e-01 0.0000000e+00 7.5000000e-01]]
cellpar =  Cell([[3.537436739486999, 2.597238218122073e-36, 7.892825539974774e-34], [3.198525410543042e-36, 3.537436739486999, -1.6113075355683197e-17], [5.642701935917995e-52, -3.125139847369782e-17, 7.042189168967759]])
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]
 [-4.17310027e-83  2.31121936e-48 -5.20810099e-31]
 [-1.97124348e-68 -2.18011371e-32  3.47206733e-31]
 [-5.45028427e-33  2.92513700e-48 -6.59150282e-31]
 [ 1.97124348e-68  2.18011371e-32  1.08502104e-32]]
stress =  [ 6.51015094e-10  6.51015094e-10  1.77139565e-10 -9.15802190e-26
  4.08740616e-63 -1.54775621e-61]
energy per atom =  -4.434635243440383
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0