element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cI72_199_2bc_c
Parameter names:
['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:
['10.1728', '0.58143307', '0.82403591', '0.00554944', '0.90046439', '0.11216416', '0.86610193', '0.98215625', '0.096318836']
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 =  [[0.58143307 0.         0.25      ]
 [0.82403591 0.         0.25      ]
 [0.50554944 0.40046439 0.61216416]
 [0.86610193 0.98215625 0.09631884]]
spacegroup =  199
cell =  [[10.1728, 0, 0], [0, 10.1728, 0], [0, 0, 10.1728]]
=========================================