element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP72_180_4k_gik
Parameter names:
['a', 'c/a', 'x1', 'x2', '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:
['17.3663', '0.74930757', '0.62019243', '0.56290899', '0.59519098', '0.065450774', '0.065991815', '0.53834361', '0.18145292', '0.081814942', '0.63779502', '0.93361528', '0.073738267', '0.43168731', '0.1780454', '0.24295717', '0.43977424', '0.1636624', '0.11714026']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.06545077 0.47025979 0.73265848]
 [0.18145292 0.64310931 0.74848161]
 [0.93361528 0.29582026 0.74040493]
 [0.1780454  0.74635809 0.90962384]
 [0.37980757 0.         0.        ]
 [0.56290899 0.12581798 0.        ]
 [0.1636624  0.72388816 0.78380693]]
spacegroup =  180
cell =  [[17.3663, 0, 0], [-8.68315, 15.039656969742, 0], [0, 0, 13.0127]]
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