element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP36_194_ghk_k
Parameter names:
['a', 'c/a', 'x2', 'x3', 'z3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.0903', '1.0201976', '0.46758449', '0.24575132', '0.41647772', '0.43139423', '0.39644944']
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 =  [[0.5        0.         0.        ]
 [0.46758449 0.93516898 0.25      ]
 [0.24575132 0.49150264 0.41647772]
 [0.43139423 0.86278846 0.39644944]]
spacegroup =  194
cell =  [[10.0903, 0, 0], [-5.04515, 8.7384561318061, 0], [0, 0, 10.2941]]
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