element(s):
['Al', 'O']
AFLOW prototype label:
A2B3_mC20_12_2i_3i
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['11.9225', '0.24655903', '0.99797022', '152.4512', '0.29419729', '0.20388809', '0.65906542', '0.3169181', '0.051302439', '0.89070315', '0.23811337', '0.74311365', '0.3937345', '0.5672471']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'O', 'O', 'O']
representative atom coordinates =  [[0.29419729 0.         0.20388809]
 [0.65906542 0.         0.3169181 ]
 [0.05130244 0.         0.89070315]
 [0.23811337 0.         0.74311365]
 [0.3937345  0.         0.5672471 ]]
spacegroup =  12
cell =  [[11.9225, 0, 0], [0, 2.9396, 0], [-10.54923779549, 0, 5.5030105237228]]
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