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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 09:16:04      -35.377391        0.5954
BFGS:    1 09:16:04      -35.388492        0.5594
BFGS:    2 09:16:04      -35.438142        0.3430
BFGS:    3 09:16:04      -35.461541        0.1266
BFGS:    4 09:16:04      -35.464116        0.1664
BFGS:    5 09:16:04      -35.464599        0.1697
BFGS:    6 09:16:04      -35.471315        0.1579
BFGS:    7 09:16:04      -35.474914        0.0982
BFGS:    8 09:16:04      -35.476855        0.0286
BFGS:    9 09:16:04      -35.477076        0.0040
BFGS:   10 09:16:04      -35.477082        0.0003
BFGS:   11 09:16:04      -35.477082        0.0000
BFGS:   12 09:16:04      -35.477082        0.0000
BFGS:   13 09:16:04      -35.477082        0.0000
Minimization converged after 13 steps.
Maximum force component: 6.0761178215599145e-31 eV/Angstrom
Maximum stress component: 6.510143297369497e-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]
 [1.10678521e-54 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.64090731e-34]
 [0.00000000e+00 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 1.30666135e-33 7.50000000e-01]]
cellpar =  Cell([[3.5374367394854063, -1.2831343183004864e-36, 2.094650655039318e-32], [-3.564660930479119e-36, 3.5374367394854054, 6.564199827428393e-18], [1.3651315938416615e-38, 1.345603027317707e-17, 7.042189168967193]])
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]
 [-1.68265460e-70 -1.65858378e-49 -8.68016832e-32]
 [-1.17785822e-69 -1.16100865e-48 -6.07611782e-31]
 [ 7.36161388e-70  7.25630406e-49  3.79757364e-31]
 [ 2.99722851e-70  2.95435237e-49  1.54615498e-31]]
stress =  [ 6.51014330e-10  6.51014330e-10  1.77138860e-10 -1.31094494e-25
 -1.23698405e-34  4.10729559e-50]
energy per atom =  -4.4346352434405505
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0