element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI96_140_ijkl_m
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'y3', 'x4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['14.1503', '0.64084154', '0.64576919', '0.73651488', '0.91358518', '0.22125659', '0.33005664', '0.70237119', '0.60091251', '0.25989934', '0.32507412']
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']
representative atom coordinates =  [[0.64576919 0.64576919 0.25      ]
 [0.73651488 0.         0.25      ]
 [0.91358518 0.22125659 0.        ]
 [0.33005664 0.83005664 0.70237119]
 [0.60091251 0.25989934 0.32507412]]
spacegroup =  140
cell =  [[14.1503, 0, 0], [0, 14.1503, 0], [0, 0, 9.0681]]
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