element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP36_181_fhij_k
Parameter names:
['a', 'c/a', 'z1', 'x2', 'x3', 'x4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8591', '1.9825196', '0.80320827', '0.8165556', '0.81232594', '0.60639', '0.59502244', '0.77236726', '0.45096384']
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']
representative atom coordinates =  [[0.5        0.         0.80320827]
 [0.8165556  0.         0.5       ]
 [0.81232594 0.62465188 0.        ]
 [0.60639    0.21278    0.5       ]
 [0.59502244 0.77236726 0.45096384]]
spacegroup =  181
cell =  [[6.8591, 0, 0], [-3.42955, 5.9401548470978, 0], [0, 0, 13.5983]]
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