element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI96_140_ehlm_jl
Parameter names:
['a', 'c/a', 'x2', 'x3', 'x4', 'z4', 'x5', 'z5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['13.6843', '0.76587768', '0.2237774', '0.35420301', '0.57514246', '0.83241333', '0.30986443', '0.64262486', '0.71124247', '0.92818404', '0.1588462']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[0.25       0.25       0.25      ]
 [0.2237774  0.7237774  0.        ]
 [0.57514246 0.07514246 0.83241333]
 [0.71124247 0.92818404 0.1588462 ]
 [0.35420301 0.         0.25      ]
 [0.30986443 0.80986443 0.64262486]]
spacegroup =  140
cell =  [[13.6843, 0, 0], [0, 13.6843, 0], [0, 0, 10.4805]]
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