element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
AB3C_cI40_204_ab_g_c
Parameter names:
['a', 'y4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.2168', '0.2596722', '0.76000304']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'O', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.5        0.5       ]
 [0.         0.2596722  0.76000304]
 [0.25       0.25       0.25      ]]
spacegroup =  204
cell =  [[7.2168, 0, 0], [0, 7.2168, 0], [0, 0, 7.2168]]
=========================================