element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mP12_13_abce_g
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.6809', '1.0008118', '2.0882309', '128.4621', '0.82999829', '0.84805255', '0.27391566', '0.55606765']
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.        ]
 [0.5        0.5        0.        ]
 [0.         0.5        0.        ]
 [0.         0.82999829 0.25      ]
 [0.84805255 0.27391566 0.55606765]]
spacegroup =  13
cell =  [[4.6809, 0, 0], [0, 4.6847, 0], [-6.0798945259744, 0, 7.6538616131353]]
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