element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oP48_55_gh3i_2i
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', '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:
['9.8898', '1.0021841', '0.85641772', '0.35075085', '0.34814755', '0.14964383', '0.14740738', '0.69286756', '0.8068333', '0.25114204', '0.95903906', '0.81776696', '0.21733479', '0.68330794', '0.54098269', '0.28159749', '0.8299476', '0.8793806', '0.31267557', '0.62125104', '0.67023085', '0.1873587']
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 =  [[0.35075085 0.34814755 0.        ]
 [0.14964383 0.14740738 0.5       ]
 [0.69286756 0.8068333  0.25114204]
 [0.95903906 0.81776696 0.21733479]
 [0.68330794 0.54098269 0.28159749]
 [0.8299476  0.8793806  0.31267557]
 [0.62125104 0.67023085 0.1873587 ]]
spacegroup =  55
cell =  [[9.8898, 0, 0], [0, 9.9114, 0], [0, 0, 8.4698]]
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