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 17:17:15      -93.635045         0.890147
BFGS:    1 17:17:15      -93.668905         0.884963
BFGS:    2 17:17:16      -93.800002         0.862432
BFGS:    3 17:17:17      -93.927464         0.836484
BFGS:    4 17:17:18      -94.050771         0.806995
BFGS:    5 17:17:19      -94.169379         0.773831
BFGS:    6 17:17:19      -94.282738         0.737012
BFGS:    7 17:17:20      -94.390300         0.696557
BFGS:    8 17:17:21      -94.491524         0.652486
BFGS:    9 17:17:21      -94.585867         0.604818
BFGS:   10 17:17:22      -94.672790         0.553562
BFGS:   11 17:17:22      -94.751756         0.498717
BFGS:   12 17:17:22      -94.822225         0.440265
BFGS:   13 17:17:23      -94.883653         0.378161
BFGS:   14 17:17:24      -94.935486         0.312328
BFGS:   15 17:17:24      -94.977159         0.242650
BFGS:   16 17:17:24      -95.008082         0.168975
BFGS:   17 17:17:25      -95.027632         0.090885
BFGS:   18 17:17:25      -95.035094         0.007685
BFGS:   19 17:17:26      -95.035145         0.000314
BFGS:   20 17:17:27      -95.035146         0.000001
BFGS:   21 17:17:28      -95.035146         0.000000
Minimization converged after 21 steps.
Maximum force component: 4.300269412449771e-31 eV/Angstrom
Maximum stress component: 1.4120659533147828e-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, -3.532990951548045e-33, -1.3782147142427624e-34], [-9.232060489067645e-34, 6.541486922202059, -5.137911171387821e-18], [1.744782788596091e-34, -5.137911171387825e-18, 6.541486922202059]])
forces =  [[-1.61260103e-31  2.68766838e-32  5.37533677e-32]
 [-1.37387836e-65  1.07506735e-31  5.37533677e-32]
 [ 1.61260103e-31 -5.37533677e-32  5.37533677e-32]
 [ 1.07506735e-31 -2.68766838e-32 -9.40683934e-32]
 [-3.76273574e-31  3.49396890e-31 -3.22520206e-31]
 [-5.37533677e-32  5.37533677e-32  1.34383419e-31]
 [ 1.07506735e-31  5.37533677e-32 -5.37533677e-32]
 [-5.37533677e-32  2.68766838e-31 -1.88136787e-31]
 [ 1.07506735e-31  2.68766838e-32  2.68766838e-31]
 [-2.67606969e-65  2.15013471e-31  1.34383419e-31]
 [ 3.46462700e-65 -2.15013471e-31  1.61260103e-31]
 [ 2.41890154e-31 -1.61260103e-31  1.34383419e-31]
 [-2.68766838e-32  2.68766838e-32 -2.11098816e-50]
 [ 1.34383419e-31  1.07506735e-31  1.07506735e-31]
 [ 4.30026941e-31 -2.68766838e-32  8.06300515e-32]
 [-1.07506735e-31  2.68766838e-31 -1.07506735e-31]
 [ 5.03937822e-33  8.39896370e-33 -8.39896370e-34]
 [ 1.09186528e-32 -2.18373056e-32  5.87927459e-33]
 [ 4.19948185e-34 -1.58005505e-32 -4.25197537e-33]
 [ 2.31233969e-32  1.51181347e-32 -1.67979274e-33]
 [ 6.08924868e-33 -9.23886007e-33 -2.01575129e-32]
 [ 1.00787564e-32  4.19948185e-34 -1.21784974e-32]
 [-1.67979274e-33  1.67979274e-33 -6.71917096e-33]
 [ 1.38582901e-32  1.06374012e-50 -1.35433290e-32]]
stress =  [1.41206595e-11 1.41206595e-11 1.41206595e-11 3.31166931e-29
 5.34552942e-51 2.98347141e-61]
energy per atom =  -3.959797731363844
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0