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_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 15:57:24      -61.901181         1.116715
BFGS:    1 15:57:24      -61.954508         1.111820
BFGS:    2 15:57:24      -62.120165         1.096668
BFGS:    3 15:57:24      -62.283396         1.079245
BFGS:    4 15:57:24      -62.443600         1.055453
BFGS:    5 15:57:24      -62.599622         1.023472
BFGS:    6 15:57:24      -62.750236         0.983469
BFGS:    7 15:57:24      -62.894315         0.936458
BFGS:    8 15:57:24      -63.030836         0.882686
BFGS:    9 15:57:24      -63.158781         0.822112
BFGS:   10 15:57:24      -63.277127         0.754686
BFGS:   11 15:57:24      -63.384841         0.680351
BFGS:   12 15:57:24      -63.480884         0.599051
BFGS:   13 15:57:24      -63.564205         0.510722
BFGS:   14 15:57:24      -63.633745         0.415294
BFGS:   15 15:57:24      -63.688435         0.312694
BFGS:   16 15:57:24      -63.727227         0.204003
BFGS:   17 15:57:24      -63.749529         0.091769
BFGS:   18 15:57:24      -63.754211         0.019221
BFGS:   19 15:57:24      -63.754396         0.001634
BFGS:   20 15:57:24      -63.754398         0.000025
BFGS:   21 15:57:24      -63.754398         0.000000
BFGS:   22 15:57:24      -63.754398         0.000000
Minimization converged after 22 steps.
Maximum force component: 7.920237132127335e-31 eV/Angstrom
Maximum stress component: 5.2056818508296093e-14 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 0.00000000e+00 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 0.00000000e+00]
 [1.18906753e-49 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([[5.7543221613799895, -3.653608375613036e-32, -2.9818497827229082e-33], [-4.8344862622036844e-32, 5.7543221613799895, -6.161907796023095e-18], [1.011723394139376e-32, -6.161907796023094e-18, 5.7543221613799895]])
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]
 [-5.02403102e-32  6.26526221e-31 -2.48246238e-31]
 [ 6.64945282e-32 -7.15185592e-31 -2.98301842e-31]
 [-4.24826152e-32  7.92023713e-31 -3.22129048e-31]
 [ 2.06871865e-32 -6.44258095e-31  1.56631555e-31]
 [ 7.97934338e-32  5.73330598e-31  1.06391245e-31]
 [ 2.58220418e-31 -7.50649340e-31 -8.86593709e-33]
 [ 2.55634519e-31 -4.90581852e-31 -8.09016759e-32]
 [ 1.96897686e-31  5.37866850e-31 -3.86407091e-31]]
stress =  [ 5.20568185e-14  5.20568185e-14  5.20568185e-14  4.20123586e-31
 -1.55103241e-35 -5.82009363e-52]
energy per atom =  -3.9846498564384105
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0