element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP36_96_3b_ab
Parameter names:
['a', 'c/a', 'x1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.5919', '1.155363', '0.41597085', '0.44385267', '0.12373246', '0.39990708', '0.12056591', '0.11543242', '0.29613541', '0.36362271', '0.29597747', '0.14614459', '0.32604051', '0.11962727', '0.24592918']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[0.44385267 0.12373246 0.39990708]
 [0.12056591 0.11543242 0.29613541]
 [0.36362271 0.29597747 0.14614459]
 [0.41597085 0.41597085 0.        ]
 [0.32604051 0.11962727 0.24592918]]
spacegroup =  96
cell =  [[7.5919, 0, 0], [0, 7.5919, 0], [0, 0, 8.7714]]
=========================================