element(s):
['Ca', 'Si']
AFLOW prototype label:
AB2_hR6_166_c_2c
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8848956', '7.8159275', '0.91996424', '0.81742379', '0.65322287']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Si', 'Si']
representative atom coordinates =  [[0.         0.         0.41996424]
 [0.         0.         0.31742379]
 [0.         0.         0.15322287]]
spacegroup =  166
cell =  [[3.8849, 0, 0], [-1.94245, 3.3644220911622, 0], [0, 0, 30.3641]]
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