element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mP12_3_ab3e_2e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3229', '0.98706887', '2.0445534', '115.5185', '0.85559742', '0.33233973', '0.6034166', '0.22462083', '0.71379868', '0.75942292', '0.28200961', '0.13425466', '0.074679176', '0.76899283', '0.70697311', '0.043015736', '0.011411827', '0.17873324', '0.24490463', '0.41583632', '0.69426597']
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', 'Si', 'Si']
representative atom coordinates =  [[0.         0.85559742 0.        ]
 [0.         0.33233973 0.5       ]
 [0.17581924 0.22462083 0.88961792]
 [0.4909136  0.28200961 0.62516826]
 [0.66073296 0.76899283 0.36770607]
 [0.68554926 0.01141183 0.8642825 ]
 [0.85637269 0.41583632 0.55063866]]
spacegroup =  3
cell =  [[7.9928, 0, 0], [0, 4.267, 0], [-8.271539976051, 0, 4.3139311114795]]
=========================================