element(s):
['Ca', 'Si']
AFLOW prototype label:
A14B19_hR66_167_b2cef_2ce2f
Parameter names:
['a', 'c/a', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.6627419', '7.9219349', '0.054730634', '0.10995619', '0.15297991', '0.21906542', '0.49912156', '0.83386845', '0.9427686', '0.19090354', '0.42750559', '0.83180081', '0.21519074', '0.38051718', '0.99060531', '0.43970547', '0.72942664']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.55473063]
 [0.         0.         0.60995619]
 [0.75087844 0.         0.25      ]
 [0.57377968 0.66282237 0.35372591]
 [0.         0.         0.65297991]
 [0.         0.         0.71906542]
 [0.41613155 0.         0.25      ]
 [0.5713476  0.59397884 0.30916958]
 [0.00951417 0.280207   0.21991247]]
spacegroup =  167
cell =  [[8.6627, 0, 0], [-4.33135, 7.5021182653635, 0], [0, 0, 68.6257]]
=========================================