element(s):
['Cu', 'Pd']
AFLOW prototype label:
A4B_tP20_84_afjk_j
Parameter names:
['a', 'c/a', 'x3', 'y3', 'x4', 'y4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8821', '1.2387753', '0.19168115', '0.60497871', '0.39735609', '0.20897351', '0.096119841', '0.29718957', '0.2495781']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Pd']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.5        0.5        0.25      ]
 [0.19168115 0.60497871 0.        ]
 [0.09611984 0.29718957 0.2495781 ]
 [0.39735609 0.20897351 0.        ]]
spacegroup =  84
cell =  [[5.8821, 0, 0], [0, 5.8821, 0], [0, 0, 7.2866]]
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