element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6652']
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.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6652, 0, 0], [0, 5.6652, 0], [0, 0, 5.6652]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:56:57      -69.166886        0.4163
BFGS:    1 13:56:57      -69.174213        0.4050
BFGS:    2 13:56:57      -69.227732        0.3078
BFGS:    3 13:56:57      -69.266294        0.2055
BFGS:    4 13:56:57      -69.289108        0.0977
BFGS:    5 13:56:57      -69.295442        0.0054
BFGS:    6 13:56:57      -69.295460        0.0001
BFGS:    7 13:56:57      -69.295460        0.0000
BFGS:    8 13:56:57      -69.295460        0.0000
Minimization converged after 8 steps.
Maximum force component: 9.42463583925879e-31 eV/Angstrom
Maximum stress component: 9.129255038206792e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.89191800e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.88476252e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.88476252e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 9.78383599e-49]
 [4.89191800e-49 5.00000000e-01 0.00000000e+00]
 [3.05744875e-50 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.594760715817626, 2.807401759735976e-32, -6.603398652805993e-32], [4.082425735668478e-32, 5.594760715817626, 6.228956748789439e-18], [-1.7462820173188504e-33, 6.228956748789366e-18, 5.594760715817626]])
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]
 [ 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]
 [ 4.59738334e-32  6.32140209e-31  6.86734136e-31]
 [-2.71892124e-31 -5.43065907e-31 -4.94218709e-31]
 [ 2.14065662e-31  7.47074792e-31  3.10323375e-31]
 [-1.72401875e-31 -6.99664276e-31 -6.66620584e-31]
 [ 2.47109354e-31  9.19476667e-31 -5.17205625e-32]
 [-4.09454453e-31 -5.40192542e-31 -7.12594417e-31]
 [-2.29869167e-31 -5.17205625e-31 -2.95956552e-31]
 [ 3.15621141e-31  9.42463584e-31  1.19603801e-31]]
stress =  [-9.12925504e-13 -9.12925504e-13 -9.12925504e-13 -4.94063024e-29
  3.00415052e-62  1.39025952e-60]
energy per atom =  -4.330966254775851
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0