element(s):
['Ca', 'O', 'Si']
AFLOW prototype label:
A2B4C_tI14_139_e_ce_a
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6069', '3.2521556', '0.64641219', '0.8446022']
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.         0.64641219]
 [0.         0.5        0.        ]
 [0.         0.         0.8446022 ]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[3.6069, 0, 0], [0, 3.6069, 0], [0, 0, 11.7302]]
=========================================