element(s):
['Fe', 'Ni']
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:
['6.7867']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.7867, 0, 0], [0, 6.7867, 0], [0, 0, 6.7867]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:29:15      -94.478472        0.2410
BFGS:    1 18:29:15      -94.480928        0.2346
BFGS:    2 18:29:15      -94.509321        0.1446
BFGS:    3 18:29:15      -94.524520        0.0587
BFGS:    4 18:29:15      -94.527624        0.0023
BFGS:    5 18:29:15      -94.527629        0.0000
BFGS:    6 18:29:15      -94.527629        0.0000
BFGS:    7 18:29:15      -94.527629        0.0000
Minimization converged after 7 steps.
Maximum force component: 1.507453037166568e-31 eV/Angstrom
Maximum stress component: 2.216288660277307e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
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 1.63588051e-17 6.54352203e-17]
 [6.54352203e-17 1.63588051e-17 5.00000000e-01]
 [6.54352203e-17 5.00000000e-01 6.54352203e-17]
 [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([[6.825997385990194, -1.6888211930417051e-34, -3.440359610779255e-34], [-9.056948061754391e-34, 6.825997385990194, 6.585902271125935e-18], [8.177185139657862e-33, 6.585902271125927e-18, 6.825997385990194]])
forces =  [[ 3.85627521e-32  3.50570474e-32  6.04734067e-32]
 [-1.33216780e-31 -7.71255042e-32  1.40228190e-31]
 [ 1.50745304e-31 -1.40228190e-32  7.01140948e-33]
 [ 2.34444004e-32 -3.15513426e-32  1.29711075e-31]
 [-3.50570474e-32  1.40228190e-32 -2.80456379e-32]
 [-6.13498329e-33  5.25855711e-32  7.71255042e-32]
 [ 2.10342284e-32 -2.80456379e-32  4.05347110e-33]
 [ 7.88783566e-32  1.75285237e-32 -7.01140948e-33]
 [ 1.40228190e-32 -6.31026853e-32  3.06749165e-32]
 [-2.10342284e-32  7.80019304e-32  9.11483232e-32]
 [ 7.01140948e-33 -2.38826135e-32 -9.11483232e-32]
 [ 1.47239599e-31 -2.80456379e-32  4.90798663e-32]
 [ 4.55741616e-32  3.50570474e-32 -8.76426184e-34]
 [-1.40228190e-32  1.40228190e-32  6.31026853e-32]
 [-1.12182552e-31 -1.40775956e-31 -1.15688256e-31]
 [ 2.87029575e-32  4.56623510e-50  4.73270140e-32]
 [ 4.92989729e-33 -1.21604133e-32  5.25855711e-33]
 [-7.44962257e-33 -2.57450192e-33  5.25855711e-33]
 [-3.94391783e-33 -8.54515530e-33  2.62927855e-33]
 [-2.19106546e-33  1.29816349e-32  4.49168420e-33]
 [ 1.76380770e-32 -4.38213092e-33 -4.22799546e-51]
 [-2.19106546e-33  1.75285237e-33 -7.88783566e-33]
 [ 3.50570474e-33  1.31463928e-32  5.25855711e-33]
 [-5.03945056e-33  5.47766365e-33 -9.64068803e-33]]
stress =  [-2.21628866e-14 -2.21628866e-14 -2.21628866e-14  6.04483954e-30
  2.46807581e-63 -1.41629333e-64]
energy per atom =  -3.938651202766918
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0