element(s):
['Al', 'Au']
AFLOW prototype label:
A3B8_hR44_167_bce_2c2f
Parameter names:
['a', 'c/a', 'x2', 'x3', 'x4', 'x5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8105146', '5.4347116', '0.15613556', '0.21753425', '0.93687697', '0.56692249', '0.64901599', '0.0043751172', '0.29495592', '0.61541438', '0.35227113', '0.87563146']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Au', 'Au', 'Au', 'Au']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.65613556]
 [0.31692249 0.         0.25      ]
 [0.         0.         0.71753425]
 [0.         0.         0.43687697]
 [0.66623365 0.97840723 0.48278234]
 [0.66764206 0.59550119 0.44777232]]
spacegroup =  167
cell =  [[7.8105, 0, 0], [-3.90525, 6.7640914162584, 0], [0, 0, 42.4479]]
=========================================