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 14:52:11       -8.858257         1.744962
BFGS:    1 14:52:11       -8.914746         1.300844
BFGS:    2 14:52:11       -8.958738         0.229740
BFGS:    3 14:52:11       -8.960096         0.160104
BFGS:    4 14:52:11       -8.963935         0.257184
BFGS:    5 14:52:11       -8.967825         0.222205
BFGS:    6 14:52:11       -8.969204         0.080508
BFGS:    7 14:52:11       -8.969359         0.011627
BFGS:    8 14:52:11       -8.969368         0.000678
BFGS:    9 14:52:11       -8.969368         0.000060
BFGS:   10 14:52:11       -8.969368         0.000002
BFGS:   11 14:52:11       -8.969368         0.000000
BFGS:   12 14:52:11       -8.969368         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3879310686051692e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6048166491333635, -1.1219825307467614e-34, -5.410348725126568e-34], [7.274511020708481e-35, 2.604816649133363, 1.1720411859629209e-17], [4.6955184685003485e-33, 1.554799180682573e-17, 3.3478599441430625]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.37901293e-11 -1.37901293e-11 -1.38793107e-11  3.62113828e-27
  1.76679447e-34 -5.04215718e-50]
energy per atom =  -4.4846837922090845
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0