element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oI24_46_abc_c
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'y2', 'z2', '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:
['10.2315', '0.81352685', '0.49956507', '0.063938971', '0.076043908', '0.031860632', '0.42334756', '0.29174209', '0.20416805', '0.39913478', '0.14401522', '0.00064214559']
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.         0.         0.06393897]
 [0.25       0.07604391 0.03186063]
 [0.42334756 0.29174209 0.20416805]
 [0.39913478 0.14401522 0.00064215]]
spacegroup =  46
cell =  [[10.2315, 0, 0], [0, 8.3236, 0], [0, 0, 5.1113]]
=========================================