element(s):
['C', 'Si']
AFLOW prototype label:
AB_hR14_160_7a_7a
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7', 'x8', 'x9', 'x10', 'x11', 'x12', 'x13', 'x14']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0946842', '17.168344', '0.9642104', '0.58332227', '0.20240098', '0.82131012', '0.10711776', '0.39282761', '0.67860791', '6.4307886e-06', '0.6190462', '0.23813104', '0.85712052', '0.14281281', '0.42855833', '0.71431631']
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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.9642104 ]
 [0.         0.         0.58332227]
 [0.         0.         0.20240098]
 [0.         0.         0.82131012]
 [0.         0.         0.10711776]
 [0.         0.         0.39282761]
 [0.         0.         0.67860791]
 [0.         0.         0.        ]
 [0.         0.         0.6190462 ]
 [0.         0.         0.23813104]
 [0.         0.         0.85712052]
 [0.         0.         0.14281281]
 [0.         0.         0.42855833]
 [0.         0.         0.71431631]]
spacegroup =  160
cell =  [[3.0947, 0, 0], [-1.54735, 2.6800888170917, 0], [0, 0, 53.1306]]
=========================================