element(s):
['Cu', 'Pd']
AFLOW prototype label:
A3B_tP28_123_aeg2h3i_c2gh
Parameter names:
['a', 'c/a', 'z4', 'z5', 'z6', 'z7', 'z8', 'z9', 'z10', 'z11', 'z12']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7314', '6.8844134', '0.85695693', '0.57171212', '0.71465878', '0.5714093', '0.71434546', '0.8568193', '0.3568921', '0.21430825', '0.071594782']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Pd', 'Pd', 'Pd', 'Pd']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.5        0.5       ]
 [0.         0.         0.85695693]
 [0.5        0.5        0.5714093 ]
 [0.5        0.5        0.71434546]
 [0.         0.5        0.3568921 ]
 [0.         0.5        0.21430825]
 [0.         0.5        0.07159478]
 [0.5        0.5        0.        ]
 [0.         0.         0.57171212]
 [0.         0.         0.71465878]
 [0.5        0.5        0.8568193 ]]
spacegroup =  123
cell =  [[3.7314, 0, 0], [0, 3.7314, 0], [0, 0, 25.6885]]
=========================================