element(s):
['Al', 'Ca', 'O']
AFLOW prototype label:
A7B6C16_cI116_220_ac_d_ce
Parameter names:
['a', 'x2', 'x3', 'x4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['12.1065', '0.7327389', '0.3158818', '0.11152841', '0.40029884', '0.80613156', '0.78513971']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ca', 'O', 'O']
representative atom coordinates =  [[0.375      0.         0.25      ]
 [0.2327389  0.2327389  0.2327389 ]
 [0.11152841 0.         0.25      ]
 [0.3158818  0.3158818  0.3158818 ]
 [0.40029884 0.80613156 0.78513971]]
spacegroup =  220
cell =  [[12.1065, 0, 0], [0, 12.1065, 0], [0, 0, 12.1065]]
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