element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_tI8_139_a_bd
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6204', '1.9276323']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6204, 0, 0], [0, 3.6204, 0], [0, 0, 6.9788]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:16:05      -35.838310        0.7763
BFGS:    1 09:16:05      -35.860409        0.7118
BFGS:    2 09:16:05      -35.936707        0.3983
BFGS:    3 09:16:05      -35.970351        0.0862
BFGS:    4 09:16:05      -35.971388        0.0435
BFGS:    5 09:16:05      -35.971424        0.0378
BFGS:    6 09:16:05      -35.971607        0.0293
BFGS:    7 09:16:05      -35.971838        0.0319
BFGS:    8 09:16:05      -35.972072        0.0212
BFGS:    9 09:16:05      -35.972153        0.0089
BFGS:   10 09:16:05      -35.972164        0.0017
BFGS:   11 09:16:05      -35.972165        0.0001
BFGS:   12 09:16:05      -35.972165        0.0000
BFGS:   13 09:16:05      -35.972165        0.0000
BFGS:   14 09:16:05      -35.972165        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.085024298744375e-31 eV/Angstrom
Maximum stress component: 2.0929658304869715e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.11719631e-34]
 [3.00632680e-36 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.562810056201383, 1.1109929058416122e-36, -4.1470297166702947e-35], [6.333469320536827e-37, 3.562810056201383, 7.008160381515148e-18], [-3.13521641155625e-32, 1.3437700691962965e-17, 6.895582876649172]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.93230436e-64  4.39150245e-32 -4.24973105e-32]
 [ 3.90330183e-69  2.19575122e-32  4.31911230e-50]
 [-9.47994622e-64  2.19575122e-32  2.08502430e-31]
 [-1.56997290e-64 -2.19575122e-32  3.45290648e-32]]
stress =  [-7.74240568e-11 -7.74240568e-11 -2.09296583e-10 -3.14860102e-26
  1.50514404e-33  1.34736620e-49]
energy per atom =  -4.496520567442844
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0