element(s):
['Al', 'Pd']
AFLOW prototype label:
A3B5_oP16_55_ah_cgh
Parameter names:
['a', 'b/a', 'c/a', 'x3', 'y3', 'x4', 'y4', 'x5', 'y5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.411', '1.9486601', '0.75063759', '0.10458736', '0.7698699', '0.84428789', '0.64357688', '0.81553633', '0.89485046']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Pd', 'Pd', 'Pd']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.84428789 0.64357688 0.5       ]
 [0.         0.5        0.        ]
 [0.10458736 0.7698699  0.        ]
 [0.81553633 0.89485046 0.5       ]]
spacegroup =  55
cell =  [[5.411, 0, 0], [0, 10.5442, 0], [0, 0, 4.0617]]
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