element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
AB3C_tP10_127_c_bg_a
Parameter names:
['a', 'c/a', 'x4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0863', '0.71462556', '0.23370742']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'O', 'O', 'Si']
representative atom coordinates =  [[0.         0.5        0.5       ]
 [0.         0.         0.5       ]
 [0.23370742 0.73370742 0.        ]
 [0.         0.         0.        ]]
spacegroup =  127
cell =  [[5.0863, 0, 0], [0, 5.0863, 0], [0, 0, 3.6348]]
=========================================