element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oP24_54_acde_f
Parameter names:
['a', 'b/a', 'c/a', 'y2', 'z3', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.638', '0.55248756', '1.110618', '0.59438243', '0.78748737', '0.96823305', '0.88080147', '0.76845321', '0.1153516']
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.         0.         0.        ]
 [0.         0.59438243 0.25      ]
 [0.25       0.         0.78748737]
 [0.25       0.5        0.96823305]
 [0.88080147 0.76845321 0.1153516 ]]
spacegroup =  54
cell =  [[7.638, 0, 0], [0, 4.2199, 0], [0, 0, 8.4829]]
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