element(s):
['H', 'O', 'Si']
AFLOW prototype label:
A2B3C2_hR28_148_cf_2f_cf
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.4750917', '1.6358027', '0.22918938', '0.32394144', '0.25648521', '0.091036313', '0.88244606', '0.30142078', '0.23113967', '0.54293343', '0.25342622', '0.43540282', '0.80780354', '0.34192885', '0.2340613', '0.74798597']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'H', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.22918938]
 [0.84649602 0.52754313 0.40998919]
 [0.94292282 0.81556453 0.35849796]
 [0.75454869 0.69107399 0.49887753]
 [0.         0.         0.32394144]
 [0.90060348 0.6933394  0.44132537]]
spacegroup =  148
cell =  [[9.4751, 0, 0], [-4.73755, 8.2056773033979, 0], [0, 0, 15.4994]]
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