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 13:18:42      -67.432307         1.596157
BFGS:    1 13:18:43      -67.540532         1.567797
BFGS:    2 13:18:43      -67.770751         1.500556
BFGS:    3 13:18:43      -67.990299         1.425318
BFGS:    4 13:18:44      -68.197886         1.340899
BFGS:    5 13:18:44      -68.392058         1.246288
BFGS:    6 13:18:44      -68.571226         1.140767
BFGS:    7 13:18:44      -68.733723         1.023966
BFGS:    8 13:18:44      -68.877852         0.895900
BFGS:    9 13:18:45      -69.001951         0.757006
BFGS:   10 13:18:45      -69.104454         0.608136
BFGS:   11 13:18:45      -69.183951         0.450476
BFGS:   12 13:18:45      -69.239232         0.285511
BFGS:   13 13:18:46      -69.269324         0.114912
BFGS:   14 13:18:46      -69.275025         0.002321
BFGS:   15 13:18:46      -69.275027         0.000014
BFGS:   16 13:18:46      -69.275027         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.4307756610378015e-30 eV/Angstrom
Maximum stress component: 8.863634564196175e-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 2.64360183e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.64360183e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 9.39196037e-49]
 [0.00000000e+00 5.00000000e-01 2.64360183e-34]
 [9.39196037e-49 2.64360183e-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([[5.828199767317993, 1.2889205298159676e-33, -4.7101745997130166e-32], [-5.186040631633432e-33, 5.828199767317993, -2.200214095820498e-17], [-8.603541536998729e-32, -2.2002140958204936e-17, 5.828199767317993]])
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]
 [-1.43676217e-31  1.85581780e-31  1.33798477e-30]
 [ 9.87773992e-32 -5.86677886e-31  3.20278234e-31]
 [ 1.88575035e-31  5.68718359e-31 -1.12546370e-30]
 [ 2.27487344e-31 -5.35792559e-31 -4.54974687e-31]
 [ 7.18381085e-32  7.90219194e-31 -6.10623922e-31]
 [ 2.17975122e-62 -7.60286648e-31 -1.43077566e-30]
 [ 3.59190543e-32 -4.72934214e-31  9.15935883e-31]
 [-1.13743672e-31  7.33347358e-31  2.27487344e-31]]
stress =  [ 8.86363456e-11  8.86363456e-11  8.86363456e-11 -3.99808035e-26
  2.26794030e-35 -5.13120957e-51]
energy per atom =  -4.32968920325364
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0