element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP24_116_eij_j
Parameter names:
['a', 'c/a', 'x1', '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:
['6.6077', '1.2285213', '0.32350573', '0.61245358', '0.30928485', '0.33451123', '0.92969747', '0.53893147', '0.23999312', '0.90370434']
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 =  [[0.32350573 0.32350573 0.25      ]
 [0.         0.5        0.61245358]
 [0.30928485 0.33451123 0.92969747]
 [0.53893147 0.23999312 0.90370434]]
spacegroup =  116
cell =  [[6.6077, 0, 0], [0, 6.6077, 0], [0, 0, 8.1177]]
=========================================