element(s):
['Cr', 'Fe']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5412']
model name:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.5412, 0, 0], [0, 6.5412, 0], [0, 0, 6.5412]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:52:05      -84.686994         0.995648
BFGS:    1 16:52:05      -84.729086         0.977237
BFGS:    2 16:52:05      -84.870868         0.913423
BFGS:    3 16:52:06      -85.003183         0.851010
BFGS:    4 16:52:06      -85.126240         0.789979
BFGS:    5 16:52:07      -85.240245         0.730317
BFGS:    6 16:52:07      -85.345403         0.672014
BFGS:    7 16:52:08      -85.441917         0.615063
BFGS:    8 16:52:08      -85.529990         0.559465
BFGS:    9 16:52:09      -85.609824         0.505223
BFGS:   10 16:52:09      -85.681625         0.452343
BFGS:   11 16:52:10      -85.745550         0.399967
BFGS:   12 16:52:10      -85.801605         0.347402
BFGS:   13 16:52:11      -85.849763         0.294674
BFGS:   14 16:52:11      -85.890001         0.241811
BFGS:   15 16:52:12      -85.922301         0.188851
BFGS:   16 16:52:12      -85.946653         0.135836
BFGS:   17 16:52:13      -85.963052         0.082811
BFGS:   18 16:52:13      -85.971498         0.029831
BFGS:   19 16:52:14      -85.972764         0.000170
BFGS:   20 16:52:14      -85.972764         0.000001
BFGS:   21 16:52:15      -85.972764         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.787498184038658e-31 eV/Angstrom
Maximum stress component: 9.20060458593208e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.28393474e-33 1.00000000e+00]
 [1.00000000e+00 1.05601002e-32 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 1.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.784461592572872, -3.1385594647712176e-34, 3.6926514626648415e-34], [-2.5943779245448524e-33, 6.784461592572872, -8.62612901005633e-18], [2.5798454804357695e-35, -8.626129010056333e-18, 6.784461592572872]])
forces =  [[-1.11499927e-31 -2.78749818e-32 -2.78749818e-32]
 [ 2.78749818e-31 -2.78749818e-32  3.54417497e-50]
 [-1.11499927e-31 -1.11499927e-31  1.41766999e-49]
 [-1.11499927e-31 -2.78749818e-32  3.54417497e-50]
 [ 9.81141760e-66 -2.78749818e-32 -2.22999855e-31]
 [-2.12127877e-65  5.57499637e-32  2.78749818e-32]
 [ 1.67249891e-31  5.57499637e-32  2.78749818e-32]
 [ 8.36249455e-32  2.78749818e-32 -8.36249455e-32]
 [ 1.11499927e-31 -2.78749818e-32 -5.57499637e-32]
 [-5.57499637e-32  2.78749818e-32 -3.54417497e-50]
 [-4.25315723e-65  1.11499927e-31  2.78749818e-32]
 [-8.36249455e-32 -1.11499927e-31  2.78749818e-32]
 [ 1.39374909e-31  8.36249455e-32 -5.57499637e-32]
 [-1.67249891e-31  2.78749818e-32  8.36249455e-32]
 [ 1.67249891e-31 -2.22999855e-31  1.11499927e-31]
 [-5.57499637e-32 -3.54417497e-50  2.78749818e-32]
 [ 4.87812182e-32 -9.75624364e-32  3.83281000e-32]
 [-3.13593546e-32  5.18300444e-32  5.22655910e-32]
 [ 5.53144171e-32  6.70741751e-32  8.38427188e-33]
 [-2.48261557e-32  8.01405728e-32  5.22655910e-32]
 [-5.22655910e-32 -3.91991932e-32 -4.87812182e-32]
 [-6.96874546e-33  2.96171682e-32  1.74218637e-33]
 [-3.48437273e-32 -1.25437418e-31 -6.96874546e-33]
 [ 2.96171682e-32  2.09062364e-32  1.56796773e-32]]
stress =  [-9.20060459e-13 -9.20060459e-13 -9.20060459e-13 -4.46797615e-29
  5.58021573e-63  1.47456140e-62]
energy per atom =  -3.5821985015291737
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0