element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP12_186_a2b_a2b
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0946', '4.9075486', '0.12540823', '6.1691626e-05', '0.79179857', '0.45829706', '0.66680468', '0.33328977']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.0000000e+00 0.0000000e+00 1.2540823e-01]
 [3.3333333e-01 6.6666667e-01 7.9179857e-01]
 [3.3333333e-01 6.6666667e-01 4.5829706e-01]
 [0.0000000e+00 0.0000000e+00 6.1691626e-05]
 [3.3333333e-01 6.6666667e-01 6.6680468e-01]
 [3.3333333e-01 6.6666667e-01 3.3328977e-01]]
spacegroup =  186
cell =  [[3.0946, 0, 0], [-1.5473, 2.6800022145513, 0], [0, 0, 15.1869]]
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