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_BelandTammMu_2017_FeNiCr__MO_715003088863_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      -35.681783        0.9183
BFGS:    1 09:16:05      -35.714306        0.8548
BFGS:    2 09:16:05      -35.816485        0.6068
BFGS:    3 09:16:05      -35.883193        0.3516
BFGS:    4 09:16:05      -35.913388        0.0888
BFGS:    5 09:16:05      -35.915151        0.0173
BFGS:    6 09:16:05      -35.915157        0.0150
BFGS:    7 09:16:05      -35.915172        0.0106
BFGS:    8 09:16:05      -35.915202        0.0124
BFGS:    9 09:16:05      -35.915245        0.0119
BFGS:   10 09:16:05      -35.915278        0.0066
BFGS:   11 09:16:05      -35.915287        0.0021
BFGS:   12 09:16:05      -35.915288        0.0003
BFGS:   13 09:16:05      -35.915288        0.0000
BFGS:   14 09:16:05      -35.915288        0.0000
BFGS:   15 09:16:05      -35.915288        0.0000
BFGS:   16 09:16:05      -35.915288        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.0899267078185052e-31 eV/Angstrom
Maximum stress component: 2.536219658358775e-11 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 1.08901448e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [3.00559212e-36 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 5.44507241e-35 2.50000000e-01]
 [6.00677613e-36 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 2.17802896e-34 7.50000000e-01]]
cellpar =  Cell([[3.5370143881495197, 1.7166357531275931e-37, -2.1529821375840506e-32], [7.896420020083491e-37, 3.5370143881495197, -3.1447122582796623e-18], [1.0485804288754978e-32, -6.0655046976810756e-18, 6.85166785082534]])
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]
 [ 6.53956025e-32  8.71941366e-32 -7.75231425e-50]
 [-8.71941366e-32  6.53956025e-32 -5.81423568e-50]
 [-4.35970683e-32  2.17985342e-32 -5.27833291e-32]
 [ 1.08992671e-31  4.35970683e-32 -6.33399950e-32]]
stress =  [-6.11948560e-12 -6.11948560e-12 -2.53621966e-11 -6.33298722e-27
 -1.36284987e-43 -3.02611451e-59]
energy per atom =  -4.4894109961812045
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0