element(s):
['C', 'O']
AFLOW prototype label:
AB2_tI12_122_a_d
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9654', '1.5127099', '0.8349341']
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.        0.       ]
 [0.8349341 0.25      0.125    ]]
spacegroup =  122
cell =  [[3.9654, 0, 0], [0, 3.9654, 0], [0, 0, 5.9985]]
=========================================