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_BelandTammMu_2017_FeNiCr__MO_715003088863_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 12:16:40      -61.863077         1.524686
BFGS:    1 12:16:40      -61.961968         1.502046
BFGS:    2 12:16:40      -62.183291         1.448599
BFGS:    3 12:16:40      -62.396445         1.393131
BFGS:    4 12:16:40      -62.601137         1.335780
BFGS:    5 12:16:40      -62.797091         1.276650
BFGS:    6 12:16:40      -62.984045         1.215796
BFGS:    7 12:16:40      -63.161747         1.153294
BFGS:    8 12:16:40      -63.329955         1.089207
BFGS:    9 12:16:40      -63.488434         1.023592
BFGS:   10 12:16:40      -63.636957         0.956479
BFGS:   11 12:16:40      -63.775305         0.887914
BFGS:   12 12:16:40      -63.903261         0.817931
BFGS:   13 12:16:40      -64.020612         0.746517
BFGS:   14 12:16:40      -64.127144         0.673671
BFGS:   15 12:16:40      -64.222642         0.599384
BFGS:   16 12:16:40      -64.306885         0.523600
BFGS:   17 12:16:40      -64.379641         0.446081
BFGS:   18 12:16:40      -64.440541         0.365314
BFGS:   19 12:16:40      -64.489052         0.280877
BFGS:   20 12:16:40      -64.524614         0.192628
BFGS:   21 12:16:40      -64.546641         0.100381
BFGS:   22 12:16:40      -64.554516         0.003892
BFGS:   23 12:16:40      -64.554528         0.000089
BFGS:   24 12:16:40      -64.554528         0.000000
BFGS:   25 12:16:40      -64.554528         0.000000
Minimization converged after 25 steps.
Maximum force component: 3.269140588814816e-30 eV/Angstrom
Maximum stress component: 2.478481784435028e-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 9.51167934e-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 0.00000000e+00]
 [0.00000000e+00 9.51167934e-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([[5.6694550465637485, -3.129126419419405e-32, -2.4660611511323845e-32], [-3.7660092399046276e-32, 5.6694550465637485, -1.2153227413687669e-17], [8.917983404143571e-33, -1.2153227413687689e-17, 5.6694550465637485]])
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]
 [-9.20105479e-31 -2.09644286e-30 -3.26914059e-30]
 [-1.40781962e-30  2.01200280e-30 -7.27931550e-32]
 [-5.66694711e-31 -1.77032953e-30  1.12974976e-30]
 [-9.55046193e-31  2.03911825e-30  3.16795810e-30]
 [ 6.87167383e-31 -2.06150215e-30  4.19288573e-31]
 [ 1.48498036e-31  2.07988242e-30  2.11973667e-30]
 [ 4.19288573e-31  2.01491453e-30 -5.93992144e-31]
 [ 8.90988217e-31 -1.97997381e-30 -3.18688432e-30]]
stress =  [ 2.47848178e-14  2.47848178e-14  2.47848178e-14 -2.10240486e-30
  2.07715994e-34 -1.50555394e-50]
energy per atom =  -4.034657971398535
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0