element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.3383']
model name:
EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[7.3383, 0, 0], [0, 7.3383, 0], [0, 0, 7.3383]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:59:01      -88.652322         2.135949
BFGS:    1 12:59:01      -88.847215         2.122153
BFGS:    2 12:59:01      -89.163878         2.100146
BFGS:    3 12:59:01      -89.477301         2.078977
BFGS:    4 12:59:01      -89.787614         2.058706
BFGS:    5 12:59:01      -90.094961         2.039419
BFGS:    6 12:59:01      -90.399493         2.021176
BFGS:    7 12:59:01      -90.701367         2.004000
BFGS:    8 12:59:01      -91.000747         1.987913
BFGS:    9 12:59:01      -91.297795         1.972903
BFGS:   10 12:59:01      -91.592670         1.958931
BFGS:   11 12:59:02      -91.885521         1.945917
BFGS:   12 12:59:02      -92.176486         1.933749
BFGS:   13 12:59:02      -92.465681         1.922277
BFGS:   14 12:59:02      -92.753195         1.911315
BFGS:   15 12:59:02      -93.039088         1.900603
BFGS:   16 12:59:02      -93.323376         1.889870
BFGS:   17 12:59:02      -93.606037         1.878836
BFGS:   18 12:59:02      -93.886981         1.866973
BFGS:   19 12:59:02      -94.166070         1.853997
BFGS:   20 12:59:02      -94.443100         1.839419
BFGS:   21 12:59:02      -94.717791         1.822744
BFGS:   22 12:59:03      -94.989792         1.803472
BFGS:   23 12:59:03      -95.258674         1.781064
BFGS:   24 12:59:03      -95.523930         1.755023
BFGS:   25 12:59:03      -95.784972         1.724813
BFGS:   26 12:59:03      -96.041141         1.689955
BFGS:   27 12:59:03      -96.291704         1.649994
BFGS:   28 12:59:03      -96.535862         1.604495
BFGS:   29 12:59:03      -96.772759         1.553131
BFGS:   30 12:59:03      -97.001491         1.495679
BFGS:   31 12:59:03      -97.221118         1.431661
BFGS:   32 12:59:03      -97.430666         1.361221
BFGS:   33 12:59:04      -97.629153         1.284176
BFGS:   34 12:59:04      -97.815593         1.200588
BFGS:   35 12:59:04      -97.989006         1.110532
BFGS:   36 12:59:04      -98.148437         1.014182
BFGS:   37 12:59:04      -98.292957         0.911761
BFGS:   38 12:59:04      -98.421677         0.803559
BFGS:   39 12:59:04      -98.533753         0.689897
BFGS:   40 12:59:04      -98.628390         0.571112
BFGS:   41 12:59:04      -98.704847         0.447545
BFGS:   42 12:59:04      -98.762434         0.319578
BFGS:   43 12:59:04      -98.800517         0.187538
BFGS:   44 12:59:04      -98.818507         0.051737
BFGS:   45 12:59:05      -98.819961         0.000931
BFGS:   46 12:59:05      -98.819961         0.000004
BFGS:   47 12:59:05      -98.819961         0.000000
Minimization converged after 47 steps.
Maximum force component: 2.9578698949302134e-30 eV/Angstrom
Maximum stress component: 3.5486373211365066e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 1.30977104e-32 8.36555417e-33]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.78330497e-33]
 [5.00000000e-01 8.78330497e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.66585875147608, -9.89850368466156e-33, -1.0102806537774904e-33], [-1.9834366628776633e-33, 6.66585875147608, -7.34814982642176e-18], [-1.8360221536349759e-34, -7.348149826421755e-18, 6.66585875147608]])
forces =  [[ 1.36938421e-32 -1.09550737e-31 -2.19101474e-31]
 [-1.36938421e-32 -8.90099737e-32  2.19101474e-31]
 [-4.10815263e-32 -1.91713789e-31 -1.23244579e-31]
 [-4.10815263e-32 -7.53161316e-32  1.43785342e-31]
 [ 4.79284474e-32 -1.57479184e-31 -9.58568947e-32]
 [-4.10815263e-32 -1.09550737e-31  6.16222895e-32]
 [-8.21630526e-32  9.58568947e-32  2.73876842e-32]
 [ 1.23244579e-31  1.78019947e-31  1.30091500e-31]
 [-1.09550737e-31 -1.14725723e-48  1.04073200e-30]
 [-4.38202947e-31 -9.31181263e-31 -2.95786989e-30]
 [-2.73876842e-31 -5.47753684e-32 -8.21630526e-31]
 [ 3.28652211e-31 -9.85956632e-31  1.08687527e-48]
 [-1.64326105e-30  9.85956632e-31  1.42415958e-30]
 [-9.85956632e-31  6.57304421e-31  4.38202947e-31]
 [-1.86236253e-30 -5.47753684e-32  1.09550737e-31]
 [ 1.09550737e-31 -3.28652211e-31  5.47753684e-31]
 [ 4.38202947e-31  2.73876842e-30  3.28652211e-31]
 [-5.47753684e-31  3.28652211e-31  5.47753684e-31]
 [-1.91713789e-31 -1.02703816e-30  5.47753684e-32]
 [-2.19101474e-31 -4.38202947e-31 -8.21630526e-31]
 [-5.47753684e-32  5.47753684e-32  8.76405895e-31]
 [ 1.09550737e-31  8.76405895e-31 -1.75281179e-30]
 [-1.75281179e-30  2.30056547e-30  7.66855158e-31]
 [-1.36938421e-31 -5.75141368e-31  7.94242842e-31]]
stress =  [ 3.54863732e-11  3.54863732e-11  3.54863732e-11  9.38282739e-28
 -1.84934095e-34 -4.16295259e-51]
energy per atom =  -4.1174983827933085
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0