element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP48_133_hjk_k
Parameter names:
['a', 'c/a', 'x1', 'x2', '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:
['9.099', '0.89197714', '0.51238542', '0.88317054', '0.42647568', '0.66878448', '0.69215628', '0.46573827', '0.8070605', '0.81286038']
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 =  [[0.23761458 0.         0.25      ]
 [0.86682946 0.36682946 0.        ]
 [0.17647568 0.91878448 0.94215628]
 [0.21573827 0.0570605  0.06286038]]
spacegroup =  133
cell =  [[9.099, 0, 0], [0, 9.099, 0], [0, 0, 8.1161]]
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