element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP36_163_g3h_i
Parameter names:
['a', 'c/a', '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:
['12.3658', '0.41613968', '0.604288', '0.40137096', '0.80057512', '0.62764253', '0.1402553', '0.48117432']
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.        ]
 [0.604288   0.395712   0.25      ]
 [0.40137096 0.59862904 0.25      ]
 [0.80057512 0.19942488 0.25      ]
 [0.8597447  0.48738723 0.48117432]]
spacegroup =  163
cell =  [[12.3658, 0, 0], [-6.1829, 10.709096938118, 0], [0, 0, 5.1459]]
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