element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB_tP2_123_a_d
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:
['2.5968', '1.3704174']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.5968, 0, 0], [0, 2.5968, 0], [0, 0, 3.5587]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:07:36       -8.858257         1.744962
BFGS:    1 12:07:36       -8.914746         1.300844
BFGS:    2 12:07:36       -8.958738         0.229740
BFGS:    3 12:07:36       -8.960096         0.160104
BFGS:    4 12:07:36       -8.963935         0.257184
BFGS:    5 12:07:36       -8.967825         0.222205
BFGS:    6 12:07:36       -8.969204         0.080508
BFGS:    7 12:07:36       -8.969359         0.011627
BFGS:    8 12:07:36       -8.969368         0.000678
BFGS:    9 12:07:36       -8.969368         0.000060
BFGS:   10 12:07:36       -8.969368         0.000002
BFGS:   11 12:07:36       -8.969368         0.000000
BFGS:   12 12:07:36       -8.969368         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.387854334526531e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.604816649133363, -8.469546887341763e-35, 1.654219863197056e-32], [1.0353800357095724e-34, 2.6048166491333635, -2.2972836865621325e-18], [-4.748725386995752e-33, -2.7357765119142175e-18, 3.3478599441430634]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.37897847e-11 -1.37897847e-11 -1.38785433e-11 -1.19118055e-27
  1.29588262e-44 -4.66303316e-62]
energy per atom =  -4.484683792209086
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0