element(s):
['Ca', 'O']
AFLOW prototype label:
AB2_tI6_139_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:
['3.2956', '2.1117247', '0.39074146']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.39074146]]
spacegroup =  139
cell =  [[3.2956, 0, 0], [0, 3.2956, 0], [0, 0, 6.9594]]
=========================================