element(s):
['C']
AFLOW prototype label:
A_oI120_71_lmn6o
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1', 'x2', 'z2', 'x3', 'y3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['16.9765', '0.53839131', '0.53253026', '0.087794084', '0.41181715', '0.79695569', '0.077206239', '0.95291847', '0.41287669', '0.84820465', '0.25285259', '0.080318454', '0.91460436', '0.33504004', '0.12991053', '0.82302819', '0.12822295', '0.15791096', '0.95658327', '0.28466999', '0.25169645', '0.86554334', '0.080688437', '0.28688349', '0.93091231', '0.15926312', '0.33373657']
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', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.58818285 0.08779408]
 [0.79695569 0.92279376 0.        ]
 [0.95291847 0.         0.41287669]
 [0.34820465 0.41968155 0.75285259]
 [0.41460436 0.37008947 0.83504004]
 [0.32302819 0.34208904 0.62822295]
 [0.45658327 0.24830355 0.78466999]
 [0.36554334 0.21311651 0.58068844]
 [0.43091231 0.16626343 0.65926312]]
spacegroup =  71
cell =  [[16.9765, 0, 0], [0, 9.0405, 0], [0, 0, 9.14]]
=========================================