element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP36_177_jk2l_n
Parameter names:
['a', 'c/a', 'x1', '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:
['12.865', '0.3025651', '0.70410438', '0.59847704', '0.55929149', '0.77813309', '0.094857259', '0.66576469', '0.84538633']
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 =  [[0.70410438 0.         0.        ]
 [0.59847704 0.         0.5       ]
 [0.55929149 0.44070851 0.        ]
 [0.77813309 0.22186691 0.        ]
 [0.09485726 0.66576469 0.84538633]]
spacegroup =  177
cell =  [[12.865, 0, 0], [-6.4325, 11.141416819687, 0], [0, 0, 3.8925]]
=========================================