element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oC48_63_defg_h
Parameter names:
['a', 'b/a', 'c/a', 'x2', 'y3', 'z3', 'x4', 'y4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.6444', '1.0811766', '0.93911493', '0.21216613', '0.8413267', '0.452511', '0.19886684', '0.87098576', '0.83557118', '0.13445924', '0.57489414']
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 =  [[0.25       0.25       0.        ]
 [0.21216613 0.         0.        ]
 [0.         0.8413267  0.452511  ]
 [0.19886684 0.87098576 0.25      ]
 [0.83557118 0.13445924 0.57489414]]
spacegroup =  63
cell =  [[9.6444, 0, 0], [0, 10.4273, 0], [0, 0, 9.0572]]
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