element(s):
['C', 'O']
AFLOW prototype label:
AB2_oP12_60_c_d
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'x2', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9642', '1.5180694', '1.1296281', '0.63983304', '0.80979743', '0.63943752', '0.37488691']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'O']
representative atom coordinates =  [[0.         0.63983304 0.25      ]
 [0.80979743 0.63943752 0.37488691]]
spacegroup =  60
cell =  [[4.9642, 0, 0], [0, 7.536, 0], [0, 0, 5.6077]]
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