element(s):
['Al', 'O']
AFLOW prototype label:
A2B3_mC10_12_i_ai
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x2', 'z2', 'x3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0966', '0.55937292', '1.8579445', '137.3322', '0.63777595', '0.20969923', '0.10555709', '0.31221351']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'O', 'O']
representative atom coordinates =  [[0.36222405 0.         0.79030077]
 [0.         0.         0.        ]
 [0.89444291 0.         0.68778649]]
spacegroup =  12
cell =  [[5.0966, 0, 0], [0, 2.8509, 0], [-6.9626611154732, 0, 6.4177175717756]]
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