element(s):
['I', 'Na']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4903']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.4903, 0, 0], [0, 6.4903, 0], [0, 0, 6.4903]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:33:46      -20.767050        0.1882
BFGS:    1 14:33:46      -20.768514        0.1749
BFGS:    2 14:33:46      -20.777921        0.0329
BFGS:    3 14:33:46      -20.778144        0.0123
BFGS:    4 14:33:47      -20.778188        0.0007
BFGS:    5 14:33:47      -20.778188        0.0000
BFGS:    6 14:33:47      -20.778188        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.3117869763260285e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'I', 'I', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.12014825e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.49192170e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.49192170e-35]
 [2.12014825e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[6.454527547817246, -2.546209105186083e-32, -1.7251436156366607e-33], [-2.291631559014463e-32, 6.454527547817246, -1.478064974112567e-18], [1.6132424877817623e-32, -1.4780649741125755e-18, 6.454527547817246]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.31178698e-12 -5.31178698e-12 -5.31178698e-12  7.83912895e-29
  3.08191253e-36 -2.72546946e-53]
energy per atom =  -2.597273510648154
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0