element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oI108_71_egkl2n2o_hlno
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y2', 'y3', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'x8', 'y8', 'x9', 'y9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['14.3344', '1.3363726', '0.52776538', '0.28813351', '0.25009714', '0.65337261', '0.70188128', '0.67655793', '0.22705716', '0.20681202', '0.71781097', '0.65583024', '0.40882094', '0.10381604', '0.29895378', '0.083541868', '0.090985543', '0.17961002', '0.25077624', '0.74891487', '0.61416299', '0.67630327', '0.70199044', '0.67522333', '0.79350697']
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', 'O', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.28813351 0.         0.        ]
 [0.         0.25009714 0.        ]
 [0.25       0.25       0.25      ]
 [0.         0.70188128 0.67655793]
 [0.71781097 0.65583024 0.        ]
 [0.40882094 0.10381604 0.        ]
 [0.59098554 0.67961002 0.75077624]
 [0.24891487 0.11416299 0.17630327]
 [0.         0.65337261 0.5       ]
 [0.         0.22705716 0.20681202]
 [0.29895378 0.08354187 0.        ]
 [0.20199044 0.17522333 0.29350697]]
spacegroup =  71
cell =  [[14.3344, 0, 0], [0, 19.1561, 0], [0, 0, 7.5652]]
=========================================