element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI48_120_ehi_i
Parameter names:
['a', 'c/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:
['10.2025', '0.84391081', '0.75058335', '0.35573744', '0.68538494', '0.00035552703', '0.2502278', '0.14458054', '0.35501096', '0.18755014']
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 =  [[7.5058335e-01 2.5058335e-01 0.0000000e+00]
 [8.5573744e-01 8.5573744e-01 2.5000000e-01]
 [1.8538494e-01 3.5552703e-04 5.0022780e-01]
 [6.4458054e-01 3.5501096e-01 4.3755014e-01]]
spacegroup =  120
cell =  [[10.2025, 0, 0], [0, 10.2025, 0], [0, 0, 8.61]]
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