element(s):
['C', 'O']
AFLOW prototype label:
AB2_tP12_92_a_b
Parameter names:
['a', 'c/a', 'x1', 'x2', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['5.1644', '1.4289559', '0.49132064', '0.17038813', '0.15143763', '0.25406626']
Parameter values for parameter set 1:
['5.179', '1.4901332', '0.49144467', '0.16922066', '0.15163767', '0.25258432']
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 =  [[0.49132064 0.49132064 0.        ]
 [0.17038813 0.15143763 0.25406626]]
spacegroup =  92
cell =  [[5.1644, 0, 0], [0, 5.1644, 0], [0, 0, 7.3797]]
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