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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:32:54      -25.317338        7.8843
BFGS:    1 16:32:54      -26.055257        2.7933
BFGS:    2 16:32:54      -26.118074        1.8481
BFGS:    3 16:32:54      -26.135546        0.5101
BFGS:    4 16:32:54      -26.139259        0.0943
BFGS:    5 16:32:54      -26.139546        0.0087
BFGS:    6 16:32:54      -26.139546        0.0008
BFGS:    7 16:32:54      -26.139546        0.0000
BFGS:    8 16:32:54      -26.139546        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.665413326403937e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.488298994032254, -1.9254548244282299e-35, -2.305329540295259e-34], [1.4301757439738117e-35, 2.488298994032254, -5.3750347348132395e-18], [-2.0059142098008816e-32, -7.523555915938828e-18, 3.5230074606494357]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.66541333e-10  1.66541333e-10 -1.62336086e-10 -3.04809722e-26
 -1.12484924e-32 -3.01696904e-48]
energy per atom =  -13.069773110100531
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0