element(s):
['Ca', 'Si']
AFLOW prototype label:
AB2_tI12_141_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2876', '3.153769', '0.46019257']
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.         0.58519257]]
spacegroup =  141
cell =  [[4.2876, 0, 0], [0, 4.2876, 0], [0, 0, 13.5221]]
=========================================