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 15:56:11      -25.317338         7.884319
BFGS:    1 15:56:11      -26.055257         2.793311
BFGS:    2 15:56:11      -26.118074         1.848119
BFGS:    3 15:56:11      -26.135546         0.510084
BFGS:    4 15:56:11      -26.139259         0.094304
BFGS:    5 15:56:11      -26.139546         0.008665
BFGS:    6 15:56:11      -26.139546         0.000810
BFGS:    7 15:56:11      -26.139546         0.000001
BFGS:    8 15:56:11      -26.139546         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6654530260049114e-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, -1.5642114569591926e-35, -9.024904805803547e-33], [2.1354867852239282e-35, 2.488298994032254, -4.311297407166878e-18], [-1.5105585018659475e-32, -6.021207585186574e-18, 3.5230074606494375]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.66545303e-10  1.66545303e-10 -1.62329286e-10 -7.22116415e-26
  9.65539452e-34  5.26420945e-49]
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