element(s):
['C', 'O']
AFLOW prototype label:
A3B2_oP40_62_a3cd_2cd
Parameter names:
['a', 'b/a', 'c/a', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.417', '1.2462801', '0.51390036', '0.13628734', '0.80212272', '0.21390477', '0.98674734', '0.28897058', '0.17535903', '0.065214086', '0.63088854', '0.35818367', '0.34940152', '0.42404466', '0.50336923', '0.68694013', '0.35423683', '0.5064851', '0.85993584']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C', 'C', 'O', 'O', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.13628734 0.25       0.80212272]
 [0.21390477 0.25       0.98674734]
 [0.28897058 0.25       0.17535903]
 [0.42404466 0.50336923 0.68694013]
 [0.06521409 0.25       0.63088854]
 [0.35818367 0.25       0.34940152]
 [0.35423683 0.5064851  0.85993584]]
spacegroup =  62
cell =  [[10.417, 0, 0], [0, 12.9825, 0], [0, 0, 5.3533]]
=========================================