element(s):
['C', 'O']
AFLOW prototype label:
AB2_hR24_167_be_cf
Parameter names:
['a', 'c/a', 'x2', 'x3', 'x4', 'y4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.452872', '1.238021', '0.090834503', '0.5013467', '0.9033208', '0.33384816', '0.40595566']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'O', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.2513467  0.         0.25      ]
 [0.         0.         0.0908345 ]
 [0.35561259 0.14175255 0.54770821]]
spacegroup =  167
cell =  [[10.4529, 0, 0], [-5.22645, 9.0524769432184, 0], [0, 0, 12.9409]]
=========================================