element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP36_163_ghi_i
Parameter names:
['a', 'c/a', 'x2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.293', '0.90952611', '0.8005223', '0.83505567', '0.14328518', '0.5881771', '0.64929852', '0.93929332', '0.57255935']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'Si']
representative atom coordinates =  [[0.5        0.         0.        ]
 [0.1994777  0.8005223  0.25      ]
 [0.14328518 0.30822951 0.5881771 ]
 [0.93929332 0.2899948  0.57255935]]
spacegroup =  163
cell =  [[8.293, 0, 0], [-4.1465, 7.1819486735843, 0], [0, 0, 7.5427]]
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