element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oC108_65_ehnopq2r_gopr
Parameter names:
['a', 'b/a', 'c/a', 'x2', 'x3', 'y4', 'z4', 'x5', 'z5', 'x6', '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:
['18.9729', '0.75999979', '0.40039741', '0.7313336', '0.82631928', '0.78368714', '0.2456277', '0.78028656', '0.17541145', '0.85088729', '0.29483481', '0.18054065', '0.40976881', '0.8271807', '0.70205104', '0.90283408', '0.77766497', '0.3984943', '0.40905487', '0.25170356', '0.86964889', '0.73249458', '0.17602802', '0.91769339', '0.80116456', '0.29383603']
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 =  [[0.25       0.25       0.        ]
 [0.82631928 0.         0.5       ]
 [0.         0.78368714 0.2456277 ]
 [0.78028656 0.         0.17541145]
 [0.68054065 0.90976881 0.        ]
 [0.40283408 0.27766497 0.5       ]
 [0.8984943  0.90905487 0.25170356]
 [0.36964889 0.23249458 0.17602802]
 [0.7313336  0.         0.        ]
 [0.85088729 0.         0.29483481]
 [0.3271807  0.20205104 0.        ]
 [0.41769339 0.30116456 0.29383603]]
spacegroup =  65
cell =  [[18.9729, 0, 0], [0, 14.4194, 0], [0, 0, 7.5967]]
=========================================