element(s):
['Al', 'Pd']
AFLOW prototype label:
A21B8_tI116_88_a5f_2f
Parameter names:
['a', 'c/a', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['13.056', '0.82190564', '0.55379767', '0.16116529', '0.77421478', '0.24800641', '0.16353389', '0.8238514', '0.21751927', '0.96051632', '0.89986825', '0.21785777', '0.74084987', '0.89505806', '0.093977104', '0.82270595', '0.10084767', '0.093215685', '0.11912843', '0.96991543', '0.60022847', '0.96380826', '0.16804651']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Pd', 'Pd']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.55379767 0.41116529 0.89921478]
 [0.24800641 0.41353389 0.9488514 ]
 [0.21751927 0.21051632 0.02486825]
 [0.21785777 0.99084987 0.02005806]
 [0.5939771  0.57270595 0.72584767]
 [0.09321569 0.36912843 0.09491543]
 [0.10022847 0.71380826 0.79304651]]
spacegroup =  88
cell =  [[13.056, 0, 0], [0, 13.056, 0], [0, 0, 10.7308]]
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