element(s):
['C', 'Si']
AFLOW prototype label:
AB_hR18_160_9a_9a
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7', 'x8', 'x9', 'x10', 'x11', 'x12', 'x13', 'x14', 'x15', 'x16', 'x17', 'x18']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0946001', '22.089018', '0.17601955', '0.32398992', '0.39810486', '0.47216688', '0.54633246', '0.62037419', '0.76856867', '0.91679384', '0.027799468', '0.88895532', '0.74070811', '0.5926269', '0.51853518', '0.44441089', '0.37031733', '0.29622678', '0.14813217', '0.99993749']
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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.17601955]
 [0.         0.         0.32398992]
 [0.         0.         0.39810486]
 [0.         0.         0.47216688]
 [0.         0.         0.54633246]
 [0.         0.         0.62037419]
 [0.         0.         0.76856867]
 [0.         0.         0.91679384]
 [0.         0.         0.02779947]
 [0.         0.         0.88895532]
 [0.         0.         0.74070811]
 [0.         0.         0.5926269 ]
 [0.         0.         0.51853518]
 [0.         0.         0.44441089]
 [0.         0.         0.37031733]
 [0.         0.         0.29622678]
 [0.         0.         0.14813217]
 [0.         0.         0.99993749]]
spacegroup =  160
cell =  [[3.0946, 0, 0], [-1.5473, 2.6800022145513, 0], [0, 0, 68.3567]]
=========================================