element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI96_141_fg2h_i
Parameter names:
['a', 'c/a', 'x1', 'x2', 'y3', 'z3', 'y4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['9.2251', '2.2473469', '0.72120572', '0.22977369', '0.06119285', '0.19127292', '0.46332022', '0.58175812', '0.32669546', '0.41908357', '0.31660827']
Parameter values for parameter set 1:
['10.1231', '2.0576997', '0.27983916', '0.29908693', '0.60446046', '0.54793965', '0.96665853', '0.70889137', '0.64920558', '0.58997047', '0.80334186']
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 =  [[0.27879428 0.25       0.125     ]
 [0.22977369 0.22977369 0.        ]
 [0.         0.81119285 0.31627292]
 [0.         0.21332022 0.70675812]
 [0.32669546 0.16908357 0.44160827]]
spacegroup =  141
cell =  [[9.2251, 0, 0], [0, 9.2251, 0], [0, 0, 20.732]]
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