element(s):
['C', 'Si']
AFLOW prototype label:
AB_hR22_160_11a_11a
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7', 'x8', 'x9', 'x10', 'x11', 'x12', 'x13', 'x14', 'x15', 'x16', 'x17', 'x18', 'x19', 'x20', 'x21', 'x22']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0943658', '26.986364', '0.71966764', '0.41660922', '0.11365575', '0.47724741', '0.84087893', '0.20460032', '0.90148741', '0.59842666', '0.29547118', '0.65902784', '0.022779399', '0.63632199', '0.27268234', '0.57569827', '0.87878814', '0.18181002', '0.81812289', '0.45452238', '0.09086449', '0.3938832', '0.69697081', '0.99995706']
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', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.71966764]
 [0.         0.         0.41660922]
 [0.         0.         0.11365575]
 [0.         0.         0.47724741]
 [0.         0.         0.84087893]
 [0.         0.         0.20460032]
 [0.         0.         0.90148741]
 [0.         0.         0.59842666]
 [0.         0.         0.29547118]
 [0.         0.         0.65902784]
 [0.         0.         0.0227794 ]
 [0.         0.         0.63632199]
 [0.         0.         0.27268234]
 [0.         0.         0.57569827]
 [0.         0.         0.87878814]
 [0.         0.         0.18181002]
 [0.         0.         0.81812289]
 [0.         0.         0.45452238]
 [0.         0.         0.09086449]
 [0.         0.         0.3938832 ]
 [0.         0.         0.69697081]
 [0.         0.         0.99995706]]
spacegroup =  160
cell =  [[3.0944, 0, 0], [-1.5472, 2.6798290094706, 0], [0, 0, 83.5057]]
=========================================