element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP48_126_fik_k
Parameter names:
['a', 'c/a', '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:
['11.2802', '0.45787309', '0.48190928', '0.11664651', '0.84097387', '0.15112788', '0.056886411', '0.86952041', '0.87299833']
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 =  [[0.25       0.25       0.25      ]
 [0.23190928 0.         0.        ]
 [0.86664651 0.59097387 0.90112788]
 [0.80688641 0.61952041 0.62299833]]
spacegroup =  126
cell =  [[11.2802, 0, 0], [0, 11.2802, 0], [0, 0, 5.1649]]
=========================================