element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI48_121_fij_j
Parameter names:
['a', 'c/a', 'x1', 'x2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.2332', '0.89951479', '0.71687036', '0.35495678', '0.27080158', '0.56980927', '0.82271627', '0.80791471', '0.43718971', '0.79500142', '0.68171618']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'Si']
representative atom coordinates =  [[0.71687036 0.         0.        ]
 [0.35495678 0.35495678 0.27080158]
 [0.56980927 0.82271627 0.80791471]
 [0.43718971 0.79500142 0.68171618]]
spacegroup =  121
cell =  [[9.2332, 0, 0], [0, 9.2332, 0], [0, 0, 8.3054]]
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