element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP36_92_3b_ab
Parameter names:
['a', 'c/a', 'x1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.8049', '0.98682292', '0.29165881', '0.47111002', '0.9864849', '0.27185857', '0.23816979', '0.92545676', '0.14980005', '0.29589841', '0.17607592', '0.12307408', '0.3716088', '0.028223423', '0.14453316']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[0.47111002 0.9864849  0.27185857]
 [0.23816979 0.92545676 0.14980005]
 [0.29589841 0.17607592 0.12307408]
 [0.29165881 0.29165881 0.        ]
 [0.3716088  0.02822342 0.14453316]]
spacegroup =  92
cell =  [[9.8049, 0, 0], [0, 9.8049, 0], [0, 0, 9.6757]]
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