element(s):
['C', 'H', 'O']
AFLOW prototype label:
AB2C2_oP20_33_a_2a_2a
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.5323', '0.35847821', '0.51579427', '0.83830444', '0.68631512', '0.16393042', '0.85038795', '0.96242522', '0.8610639', '0.89557039', '0.57328414', '0.31467024', '0.90659585', '0.85438023', '0.99972178', '0.72108519', '0.65371174', '0.15326365']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'H', 'H', 'O', 'O']
representative atom coordinates =  [[0.83830444 0.68631512 0.16393042]
 [0.85038795 0.96242522 0.8610639 ]
 [0.89557039 0.57328414 0.31467024]
 [0.90659585 0.85438023 0.99972178]
 [0.72108519 0.65371174 0.15326365]]
spacegroup =  33
cell =  [[10.5323, 0, 0], [0, 3.7756, 0], [0, 0, 5.4325]]
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