element(s):
['C']
AFLOW prototype label:
A_hR60_166_2h4i
Parameter names:
['a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.2078749', '2.8560549', '0.75219325', '0.42948739', '0.74201569', '0.31003192', '0.08367029', '0.52879813', '0.35559978', '0.058799983', '0.54887103', '0.21275644', '0.63749731', '0.89485464', '0.20182745', '0.88256648', '0.72459266', '0.035124446']
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', 'C']
representative atom coordinates =  [[0.10756862 0.89243138 0.14462463]
 [0.14399459 0.85600541 0.0980211 ]
 [0.69957705 0.1272246  0.15602273]
 [0.60594729 0.05793812 0.10680915]
 [0.62376765 0.68320516 0.0780598 ]
 [0.48769658 0.8228352  0.04742786]]
spacegroup =  166
cell =  [[9.2079, 0, 0], [-4.60395, 7.9742753155067, 0], [0, 0, 26.2982]]
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