element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hR36_166_fg2h_i
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'z3', 'x4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['13.70749', '1.090689', '0.26315745', '0.85227209', '0.25057069', '0.89011196', '0.02226603', '0.31868613', '0.1043425', '0.33288518', '0.8755116']
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']
representative atom coordinates =  [[0.26315745 0.         0.        ]
 [0.35227209 0.         0.5       ]
 [0.78681958 0.21318042 0.46375111]
 [0.9011933  0.0988067  0.12107273]
 [0.66676274 0.56206816 0.43757976]]
spacegroup =  166
cell =  [[13.7075, 0, 0], [-6.85375, 11.871043222375, 0], [0, 0, 14.9506]]
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