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 16:38:56      -69.166886         0.416288
BFGS:    1 16:38:56      -69.174213         0.405022
BFGS:    2 16:38:56      -69.227732         0.307773
BFGS:    3 16:38:56      -69.266294         0.205519
BFGS:    4 16:38:56      -69.289108         0.097681
BFGS:    5 16:38:56      -69.295442         0.005371
BFGS:    6 16:38:56      -69.295460         0.000144
BFGS:    7 16:38:56      -69.295460         0.000000
BFGS:    8 16:38:56      -69.295460         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.6780449177216866e-30 eV/Angstrom
Maximum stress component: 9.135109182035888e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.75390501e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.75390501e-34]
 [2.03760240e-66 2.75390501e-34 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([[5.594760715817625, -4.0701251976695635e-33, 1.0211978916528939e-32], [-4.139539238192674e-32, 5.594760715817625, 1.4142180396960535e-17], [4.629045458555735e-32, 1.414218039696054e-17, 5.594760715817625]])
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]
 [-9.19476667e-32  1.95388792e-31  9.97057511e-31]
 [-7.79040973e-31 -6.17773386e-31  4.65485063e-31]
 [-1.21040483e-31  4.02271042e-31 -8.62009376e-31]
 [-9.19476667e-31 -7.21214511e-31  1.72401875e-31]
 [ 4.36751417e-31  5.97659834e-31 -5.05712167e-31]
 [-5.08585532e-31  3.36183656e-31 -1.67804492e-30]
 [-1.95388792e-31  6.60873855e-32  1.11917551e-30]
 [ 4.94577879e-31  6.09153292e-31  4.24719203e-31]]
stress =  [-9.13510918e-13 -9.13510918e-13 -9.13510918e-13  4.84477410e-29
 -2.88467766e-60  1.96118139e-60]
energy per atom =  -4.330966254775855
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0