element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oP24_19_4a_2a
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.2487', '0.9996965', '1.0061804', '0.57779435', '0.67725861', '0.6125175', '0.18276746', '0.070077944', '0.63461906', '0.62549865', '0.1164156', '0.18068362', '0.10562964', '0.64068751', '0.076462409', '0.99307762', '0.48004391', '0.97044983', '0.22077858', '0.75218988', '0.23092196']
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']
representative atom coordinates =  [[0.57779435 0.67725861 0.6125175 ]
 [0.18276746 0.07007794 0.63461906]
 [0.62549865 0.1164156  0.18068362]
 [0.10562964 0.64068751 0.07646241]
 [0.99307762 0.48004391 0.97044983]
 [0.22077858 0.75218988 0.23092196]]
spacegroup =  19
cell =  [[7.2487, 0, 0], [0, 7.2465, 0], [0, 0, 7.2935]]
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