element(s):
['Al', 'Ca', 'O']
AFLOW prototype label:
A6B4C13_cI46_217_d_c_ag
Parameter names:
['a', 'x2', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['8.6156', '0.15876076', '0.14273752', '0.59941966']
Parameter values for parameter set 1:
['8.8714', '0.84607434', '0.63943407', '0.090271108']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ca', 'O', 'O']
representative atom coordinates =  [[0.25       0.5        0.        ]
 [0.15876076 0.15876076 0.15876076]
 [0.         0.         0.        ]
 [0.14273752 0.14273752 0.59941966]]
spacegroup =  217
cell =  [[8.6156, 0, 0], [0, 8.6156, 0], [0, 0, 8.6156]]
=========================================