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 16:35:33      -61.901181         1.116715
BFGS:    1 16:35:33      -61.954508         1.111820
BFGS:    2 16:35:33      -62.120165         1.096668
BFGS:    3 16:35:33      -62.283396         1.079245
BFGS:    4 16:35:33      -62.443600         1.055453
BFGS:    5 16:35:33      -62.599622         1.023472
BFGS:    6 16:35:33      -62.750236         0.983469
BFGS:    7 16:35:33      -62.894315         0.936458
BFGS:    8 16:35:33      -63.030836         0.882686
BFGS:    9 16:35:33      -63.158781         0.822112
BFGS:   10 16:35:33      -63.277127         0.754686
BFGS:   11 16:35:33      -63.384841         0.680351
BFGS:   12 16:35:33      -63.480884         0.599051
BFGS:   13 16:35:33      -63.564205         0.510722
BFGS:   14 16:35:33      -63.633745         0.415294
BFGS:   15 16:35:33      -63.688435         0.312694
BFGS:   16 16:35:33      -63.727227         0.204003
BFGS:   17 16:35:33      -63.749529         0.091769
BFGS:   18 16:35:33      -63.754211         0.019221
BFGS:   19 16:35:33      -63.754396         0.001634
BFGS:   20 16:35:33      -63.754398         0.000025
BFGS:   21 16:35:33      -63.754398         0.000000
BFGS:   22 16:35:33      -63.754398         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.3180693137794e-30 eV/Angstrom
Maximum stress component: 5.290155217480698e-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 6.69385512e-35]
 [0.00000000e+00 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([[5.75432216137999, -7.085957188177922e-32, -7.83816763353318e-33], [-9.540953440784554e-34, 5.75432216137999, -4.324487387141589e-18], [6.524442007229916e-32, -4.324487387141641e-18, 5.75432216137999]])
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]
 [ 3.54637484e-32 -5.61509349e-31 -1.19985682e-30]
 [ 1.21167807e-31  6.69378250e-31 -8.12710900e-31]
 [-1.04913589e-31 -3.07352486e-31  5.43777475e-31]
 [ 1.24123119e-31  6.91543093e-31  1.22349932e-30]
 [ 2.12782490e-31 -2.30514364e-31  1.13483995e-30]
 [-1.64019836e-31  3.70891702e-31  1.31806931e-30]
 [-2.00961241e-31  1.80274054e-31 -1.23679822e-30]
 [ 2.60806316e-31 -1.06391245e-31 -1.05837124e-30]]
stress =  [ 5.29015522e-14  5.29015522e-14  5.29015522e-14  1.37019229e-30
  2.32654861e-35 -9.81829446e-52]
energy per atom =  -3.9846498564384087
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0