element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP48_126_f2hi_k
Parameter names:
['a', 'c/a', 'x2', 'x3', 'x4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['11.2139', '0.44264707', '0.14765796', '0.86682448', '0.54461098', '0.14017105', '0.45438195', '0.46837408']
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       0.25      ]
 [0.89765796 0.89765796 0.        ]
 [0.61682448 0.61682448 0.        ]
 [0.29461098 0.         0.        ]
 [0.89017105 0.20438195 0.21837408]]
spacegroup =  126
cell =  [[11.2139, 0, 0], [0, 11.2139, 0], [0, 0, 4.9638]]
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