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 16:11:58      -84.686994         0.995648
BFGS:    1 16:11:58      -84.729086         0.977237
BFGS:    2 16:11:58      -84.870868         0.913423
BFGS:    3 16:11:58      -85.003183         0.851010
BFGS:    4 16:11:58      -85.126240         0.789979
BFGS:    5 16:11:58      -85.240245         0.730317
BFGS:    6 16:11:58      -85.345403         0.672014
BFGS:    7 16:11:58      -85.441917         0.615063
BFGS:    8 16:11:58      -85.529990         0.559465
BFGS:    9 16:11:58      -85.609824         0.505223
BFGS:   10 16:11:59      -85.681625         0.452343
BFGS:   11 16:11:59      -85.745550         0.399967
BFGS:   12 16:11:59      -85.801605         0.347402
BFGS:   13 16:11:59      -85.849763         0.294674
BFGS:   14 16:11:59      -85.890001         0.241811
BFGS:   15 16:11:59      -85.922301         0.188851
BFGS:   16 16:11:59      -85.946653         0.135836
BFGS:   17 16:11:59      -85.963052         0.082811
BFGS:   18 16:11:59      -85.971498         0.029831
BFGS:   19 16:11:59      -85.972764         0.000170
BFGS:   20 16:11:59      -85.972764         0.000001
BFGS:   21 16:11:59      -85.972764         0.000000
Minimization converged after 21 steps.
Maximum force component: 4.041872366856054e-31 eV/Angstrom
Maximum stress component: 9.201960302285723e-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 3.59507970e-33 1.00000000e+00]
 [1.00000000e+00 1.47614303e-33 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, 1.1299497791874607e-33, 1.150128216924009e-33], [1.2123651898513308e-33, 6.784461592572872, -2.088513411984914e-18], [-4.858269390376315e-33, -2.0885134119848957e-18, 6.784461592572872]])
forces =  [[-5.57499637e-32  1.11499927e-31 -4.87812182e-32]
 [-1.25437418e-31 -2.87460750e-31  5.57499637e-32]
 [ 3.48437273e-31  1.60281146e-31  1.43730375e-31]
 [ 3.48437273e-31 -1.39374909e-31 -1.88156127e-31]
 [ 4.04187237e-31 -1.39374909e-31 -1.95124873e-31]
 [-9.75624364e-32 -1.39374909e-32 -3.13593546e-31]
 [ 4.18124728e-32 -2.36937346e-31  1.74218637e-31]
 [-1.11499927e-31  1.11499927e-31 -4.18124728e-32]
 [-1.67249891e-31  1.53312400e-31 -2.22999855e-31]
 [-2.50874837e-31 -4.18124728e-32 -2.78749818e-31]
 [ 3.61503671e-31  1.39374909e-31  1.11499927e-31]
 [ 3.48437273e-31  2.09062364e-31  2.43906091e-31]
 [-8.36249455e-32  1.39374909e-31  1.39374909e-32]
 [ 2.78749818e-32 -3.90249746e-31  1.39374909e-31]
 [-5.57499637e-32  3.48437273e-32  4.18124728e-32]
 [-1.11499927e-31  1.13242114e-31 -6.96874546e-32]
 [ 1.82929568e-32 -1.13242114e-32  3.96347398e-32]
 [ 2.17773296e-33  4.87812182e-32  3.13593546e-32]
 [ 2.17773296e-32 -8.71093183e-33  5.37900040e-32]
 [ 6.96874546e-33  1.91640500e-32  1.56796773e-32]
 [-1.21953046e-32 -8.88515046e-32 -3.83281000e-32]
 [ 2.09062364e-32  3.48437273e-33  1.82929568e-32]
 [-2.09062364e-32 -2.09062364e-32 -2.09062364e-32]
 [ 3.48437273e-32 -2.78749818e-32  1.91640500e-32]]
stress =  [-9.20196030e-13 -9.20196030e-13 -9.20196030e-13  2.29473757e-28
  2.23155933e-35 -5.68580281e-51]
energy per atom =  -3.582198501529168
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0