element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP96_127_fg2jk2l_jkl
Parameter names:
['a', 'c/a', 'z1', 'x2', 'x3', 'y3', 'x4', 'y4', 'x5', 'y5', 'x6', 'z6', 'x7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['15.7984', '0.63026003', '0.16806198', '0.90795021', '0.32807867', '0.041251275', '0.05065978', '0.10763239', '0.13391908', '0.048411919', '0.81710761', '0.35129893', '0.92795455', '0.15654161', '0.34076129', '0.038025294', '0.22993528', '0.18973006', '0.068698922', '0.36363369', '0.2924101', '0.081429204', '0.35773201']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.5        0.16806198]
 [0.90795021 0.40795021 0.        ]
 [0.32807867 0.04125127 0.5       ]
 [0.05065978 0.10763239 0.5       ]
 [0.81710761 0.31710761 0.35129893]
 [0.34076129 0.03802529 0.22993528]
 [0.18973006 0.06869892 0.36363369]
 [0.13391908 0.04841192 0.5       ]
 [0.92795455 0.42795455 0.15654161]
 [0.2924101  0.0814292  0.35773201]]
spacegroup =  127
cell =  [[15.7984, 0, 0], [0, 15.7984, 0], [0, 0, 9.9571]]
=========================================