element(s):
['Ca', 'Si']
AFLOW prototype label:
AB2_hR3_166_a_c
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8457509', '4.1247073', '0.80279489']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.80279489]]
spacegroup =  166
cell =  [[3.8458, 0, 0], [-1.9229, 3.3305604978742, 0], [0, 0, 15.8626]]
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