element(s):
['Ca', 'Si']
AFLOW prototype label:
AB3_tI32_139_de_im
Parameter names:
['a', 'c/a', 'z2', 'x3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.2357', '1.5706013', '0.17404885', '0.66561473', '0.31457079', '0.10554489']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'Si', 'Si']
representative atom coordinates =  [[0.         0.5        0.25      ]
 [0.         0.         0.17404885]
 [0.66561473 0.         0.        ]
 [0.31457079 0.31457079 0.10554489]]
spacegroup =  139
cell =  [[7.2357, 0, 0], [0, 7.2357, 0], [0, 0, 11.3644]]
=========================================