element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mC48_15_ae3f_2f
Parameter names:
['a', 'b/a', 'c/a', 'beta', '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:
['7.2218', '1.7345399', '1.0053449', '120.1697', '0.38297265', '0.26809323', '0.12365979', '0.94272102', '0.3097446', '0.10419553', '0.3288151', '0.017903941', '0.21138494', '0.47811122', '0.14057703', '0.10837587', '0.073344259', '0.50606235', '0.15851462', '0.54012699']
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.         0.        ]
 [0.         0.38297265 0.25      ]
 [0.26809323 0.12365979 0.94272102]
 [0.3097446  0.10419553 0.3288151 ]
 [0.01790394 0.21138494 0.47811122]
 [0.14057703 0.10837587 0.07334426]
 [0.50606235 0.15851462 0.54012699]]
spacegroup =  15
cell =  [[7.2218, 0, 0], [0, 12.5265, 0], [-3.6488070820091, 0, 6.2769112657644]]
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