element(s):
['Cr', 'Fe']
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:
['6.0773']
model name:
EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.0773, 0, 0], [0, 6.0773, 0], [0, 0, 6.0773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:00:52      -67.432307         1.596157
BFGS:    1 17:00:53      -67.540532         1.567797
BFGS:    2 17:00:53      -67.770751         1.500556
BFGS:    3 17:00:53      -67.990299         1.425318
BFGS:    4 17:00:53      -68.197886         1.340899
BFGS:    5 17:00:54      -68.392058         1.246288
BFGS:    6 17:00:54      -68.571226         1.140767
BFGS:    7 17:00:54      -68.733723         1.023966
BFGS:    8 17:00:55      -68.877852         0.895900
BFGS:    9 17:00:55      -69.001951         0.757006
BFGS:   10 17:00:55      -69.104454         0.608136
BFGS:   11 17:00:56      -69.183951         0.450476
BFGS:   12 17:00:56      -69.239232         0.285511
BFGS:   13 17:00:56      -69.269324         0.114912
BFGS:   14 17:00:57      -69.275025         0.002321
BFGS:   15 17:00:57      -69.275027         0.000014
BFGS:   16 17:00:57      -69.275027         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.1877233939326352e-29 eV/Angstrom
Maximum stress component: 8.863581943759947e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.32180091e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.91350685e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.12042594e-68 0.00000000e+00]
 [2.34799009e-49 5.00000000e-01 3.30450228e-35]
 [0.00000000e+00 6.60900457e-35 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([[5.828199767317992, -2.1421285978729548e-32, 1.435302033313685e-33], [-1.7567998633425932e-32, 5.828199767317992, 2.4785747812949885e-18], [3.123662289838863e-33, 2.4785747812949773e-18, 5.828199767317992]])
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]
 [-3.97504200e-30  7.18381085e-31 -1.04644178e-29]
 [-1.54451933e-30  2.52630682e-30 -4.29831349e-30]
 [-2.53827983e-30  6.70489013e-31  9.57841447e-31]
 [-3.87925786e-30  3.61585146e-30  9.53052239e-30]
 [-5.74704868e-31  9.57841447e-32 -5.26812796e-31]
 [-1.62833046e-30  6.34569958e-31  1.18772339e-29]
 [-2.87352434e-31  5.26812796e-31 -2.03541307e-30]
 [ 2.71787511e-30 -5.26812796e-31 -7.87824590e-30]]
stress =  [8.86358194e-11 8.86358194e-11 8.86358194e-11 3.16268689e-27
 6.04784080e-35 1.96481783e-51]
energy per atom =  -4.329689203253632
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0