element(s):
['Al', 'Cu']
AFLOW prototype label:
AB_mC20_12_a2i_c2i
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['12.0597', '0.34021576', '0.82160419', '144.9237', '0.30561113', '0.64931574', '0.61701724', '0.73779099', '0.98226788', '0.22468053', '0.66335433', '0.053963391']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Cu', 'Cu', 'Cu']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.30561113 0.         0.64931574]
 [0.61701724 0.         0.73779099]
 [0.         0.         0.5       ]
 [0.98226788 0.         0.22468053]
 [0.66335433 0.         0.05396339]]
spacegroup =  12
cell =  [[12.0597, 0, 0], [0, 4.1029, 0], [-8.1088288101848, 0, 5.693970865496]]
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