element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oP24_50_eghi_m
Parameter names:
['a', 'b/a', 'c/a', 'x2', 'x3', 'y4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.7447', '1.1243725', '0.44383455', '0.95000391', '0.10563518', '0.38556621', '0.076023197', '0.14213563', '0.84560683']
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 =  [[0.25       0.25       0.        ]
 [0.70000391 0.         0.        ]
 [0.85563518 0.         0.5       ]
 [0.         0.13556621 0.        ]
 [0.8260232  0.89213563 0.84560683]]
spacegroup =  50
cell =  [[8.7447, 0, 0], [0, 9.8323, 0], [0, 0, 3.8812]]
=========================================