element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oP12_33_2a_a
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.097', '1.3947224', '1.0023936', '0.9872638', '0.45381962', '0.29653077', '0.84060886', '0.79860566', '0.45389665', '0.95649465', '0.37519346', '0.99958257']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'Si']
representative atom coordinates =  [[0.9872638  0.45381962 0.29653077]
 [0.84060886 0.79860566 0.45389665]
 [0.95649465 0.37519346 0.99958257]]
spacegroup =  33
cell =  [[5.097, 0, 0], [0, 7.1089, 0], [0, 0, 5.1092]]
=========================================