element(s):
['Al', 'Pd']
AFLOW prototype label:
AB_hR26_148_a2f_b2f
Parameter names:
['a', 'c/a', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['15.732393', '0.33556832', '0.5574733', '0.84810628', '0.59879838', '0.25162269', '0.65374741', '0.096413033', '0.056906892', '0.34500705', '0.098395144', '0.75098957', '0.15501208', '0.59773116']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.88934731 0.06932761 0.66812599]
 [0.58436165 0.57084801 0.66726104]
 [0.         0.         0.5       ]
 [0.8901372  0.06837455 0.1667697 ]
 [0.58307863 0.57017978 0.16791094]]
spacegroup =  148
cell =  [[15.7324, 0, 0], [-7.8662, 13.624658062498, 0], [0, 0, 5.2793]]
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