element(s):
['Al', 'Ca', 'O']
AFLOW prototype label:
A2B3C6_cP33_221_cd_ag_fh
Parameter names:
['a', 'x4', 'x5', 'x6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.6615', '0.76726461', '0.29201108', '0.23745209']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ca', 'Ca', 'O', 'O']
representative atom coordinates =  [[0.         0.5        0.5       ]
 [0.5        0.         0.        ]
 [0.         0.         0.        ]
 [0.29201108 0.29201108 0.29201108]
 [0.76726461 0.5        0.5       ]
 [0.23745209 0.5        0.        ]]
spacegroup =  221
cell =  [[7.6615, 0, 0], [0, 7.6615, 0], [0, 0, 7.6615]]
=========================================