element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP48_114_4e_2e
Parameter names:
['a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['11.5822', '0.44847266', '0.13939213', '0.60833453', '0.0014858048', '0.82033515', '0.18311884', '0.20789', '0.73532794', '0.038575268', '0.82754485', '0.95594491', '0.11922585', '0.83451622', '0.19971779', '0.59751515', '0.72197188', '0.6556643', '0.57590187', '0.49003347']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[0.13939213 0.60833453 0.0014858 ]
 [0.82033515 0.18311884 0.20789   ]
 [0.73532794 0.03857527 0.82754485]
 [0.95594491 0.11922585 0.83451622]
 [0.19971779 0.59751515 0.72197188]
 [0.6556643  0.57590187 0.49003347]]
spacegroup =  114
cell =  [[11.5822, 0, 0], [0, 11.5822, 0], [0, 0, 5.1943]]
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