element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP36_162_2ijk_l
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['11.7334', '0.37841546', '0.18506348', '0.41899331', '0.2528736', '0.3778118', '0.65251892', '0.31148063', '0.46102213', '0.21748308']
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 =  [[0.18506348 0.81493652 0.        ]
 [0.41899331 0.58100669 0.        ]
 [0.2528736  0.7471264  0.5       ]
 [0.6221882  0.         0.34748108]
 [0.53897787 0.8504585  0.21748308]]
spacegroup =  162
cell =  [[11.7334, 0, 0], [-5.8667, 10.161422472764, 0], [0, 0, 4.4401]]
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