element(s):
['Au', 'O']
AFLOW prototype label:
A2B3_oF40_43_b_ab
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['12.9784', '0.81956173', '0.30815817', '0.80751768', '0.54590386', '0.36631138', '0.49633412', '0.91790654', '0.26747974', '0.12845704']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'O', 'O']
representative atom coordinates =  [[0.38368862 0.79590386 0.99633412]
 [0.         0.         0.55751768]
 [0.48252026 0.16790654 0.62845704]]
spacegroup =  43
cell =  [[10.6366, 0, 0], [0, 12.9784, 0], [0, 0, 3.9994]]
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