element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
AB3C_tI40_139_abc_hn_f
Parameter names:
['a', 'c/a', 'x5', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.2241', '0.99727302', '0.23876833', '0.74978899', '0.73864739']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Ca', 'Ca', 'O', 'O', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.         0.5        0.        ]
 [0.23876833 0.23876833 0.        ]
 [0.         0.74978899 0.73864739]
 [0.25       0.25       0.25      ]]
spacegroup =  139
cell =  [[7.2241, 0, 0], [0, 7.2241, 0], [0, 0, 7.2044]]
=========================================