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_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_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 14:51:16      -93.635045        0.8901
BFGS:    1 14:51:17      -93.668905        0.8850
BFGS:    2 14:51:17      -93.800002        0.8624
BFGS:    3 14:51:17      -93.927464        0.8365
BFGS:    4 14:51:17      -94.050771        0.8070
BFGS:    5 14:51:17      -94.169379        0.7738
BFGS:    6 14:51:17      -94.282738        0.7370
BFGS:    7 14:51:17      -94.390300        0.6966
BFGS:    8 14:51:17      -94.491524        0.6525
BFGS:    9 14:51:17      -94.585867        0.6048
BFGS:   10 14:51:17      -94.672790        0.5536
BFGS:   11 14:51:18      -94.751756        0.4987
BFGS:   12 14:51:18      -94.822225        0.4403
BFGS:   13 14:51:18      -94.883653        0.3782
BFGS:   14 14:51:18      -94.935486        0.3123
BFGS:   15 14:51:18      -94.977159        0.2427
BFGS:   16 14:51:18      -95.008082        0.1690
BFGS:   17 14:51:18      -95.027632        0.0909
BFGS:   18 14:51:18      -95.035094        0.0077
BFGS:   19 14:51:18      -95.035145        0.0003
BFGS:   20 14:51:18      -95.035146        0.0000
BFGS:   21 14:51:18      -95.035146        0.0000
Minimization converged after 21 steps.
Maximum force component: 3.3864621623041956e-30 eV/Angstrom
Maximum stress component: 1.4120643403704742e-11 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([[6.541486922202059, -3.308581243984544e-33, 1.3715728298598804e-32], [9.273689586905407e-34, 6.541486922202059, 4.713137567442953e-17], [1.0879193343314566e-32, 4.7131375674429525e-17, 6.541486922202059]])
forces =  [[-4.30026941e-31  2.68766838e-31  1.93646352e-48]
 [ 1.29008082e-30 -4.30026941e-31  1.23632746e-30]
 [ 2.68766838e-31 -7.52547147e-31  1.07506735e-31]
 [ 1.29008082e-30  3.76273574e-31 -2.15013471e-31]
 [-3.49396890e-31  9.67560618e-31 -1.02131399e-30]
 [ 1.07506735e-31 -4.30026941e-31  5.91287044e-31]
 [ 6.45040412e-31  8.60053882e-31 -5.37533677e-31]
 [-1.88136787e-31 -1.34383419e-31  4.56903625e-31]
 [ 1.12882072e-30 -1.02131399e-30 -7.35856139e-48]
 [ 4.30026941e-31 -3.76273574e-31  1.07506735e-30]
 [-6.45040412e-31 -1.23933666e-47 -1.72010776e-30]
 [ 1.12882072e-30 -3.76273574e-31  2.15013471e-31]
 [-3.22520206e-31  2.15013471e-31  6.45040412e-31]
 [ 1.66635440e-30  6.98793780e-31  4.83780309e-31]
 [ 3.38646216e-30  5.37533677e-31 -6.45040412e-31]
 [-4.30026941e-31  3.22520206e-31  1.07506735e-31]
 [ 4.19948185e-33 -9.23886007e-33  2.93963729e-33]
 [-5.87927459e-33  4.61943003e-33 -6.71917096e-33]
 [ 1.00787564e-32 -1.25984455e-33 -1.76378238e-32]
 [-1.00787564e-32 -3.35958548e-33  1.67979274e-33]
 [-1.09186528e-32  7.97901551e-33  5.87927459e-33]
 [-7.06418933e-67 -2.51968911e-33 -2.09974092e-34]
 [-2.51968911e-33 -3.35958548e-33 -9.23886007e-33]
 [-5.24935231e-33 -8.39896370e-34  4.40945594e-33]]
stress =  [ 1.41206434e-11  1.41206434e-11  1.41206434e-11  2.21912799e-27
 -9.36063737e-60  7.63964664e-62]
energy per atom =  -3.959797731363842
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0