element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP48_85_4g_2g
Parameter names:
['a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', '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:
['11.7737', '0.37219396', '0.75070786', '0.43764345', '0.51086144', '0.074332732', '0.93011777', '0.86349506', '0.75414186', '0.56165728', '0.012539893', '0.88902892', '0.89081513', '0.51141361', '0.83350855', '0.51210992', '0.73140407', '0.82974159', '0.98709477', '0.28625944']
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', 'Si']
representative atom coordinates =  [[0.50070786 0.68764345 0.51086144]
 [0.82433273 0.18011777 0.86349506]
 [0.50414186 0.81165728 0.01253989]
 [0.63902892 0.14081513 0.51141361]
 [0.58350855 0.76210992 0.73140407]
 [0.57974159 0.23709477 0.28625944]]
spacegroup =  85
cell =  [[11.7737, 0, 0], [0, 11.7737, 0], [0, 0, 4.3821]]
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