element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI96_141_cehi_gh
Parameter names:
['a', 'c/a', 'z2', 'x3', 'y4', 'z4', 'y5', 'z5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8543', '3.5067033', '0.93502464', '0.30773432', '0.5352604', '0.60301947', '0.046512373', '0.94304335', '0.3287433', '0.031106113', '0.41853463']
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', 'Si']
representative atom coordinates =  [[0.         0.25       0.125     ]
 [0.         0.         0.06002464]
 [0.         0.2852604  0.72801947]
 [0.3287433  0.78110611 0.54353463]
 [0.30773432 0.30773432 0.        ]
 [0.         0.79651237 0.06804335]]
spacegroup =  141
cell =  [[7.8543, 0, 0], [0, 7.8543, 0], [0, 0, 27.5427]]
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