element(s):
['Cu', 'Pd']
AFLOW prototype label:
A3B_tP28_99_4a3b7c_3a4b
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', 'z6', 'z7', 'z8', 'z9', 'z10', 'z11', 'z12', 'z13', 'z14', 'z15', 'z16', 'z17', 'z18', 'z19', 'z20', 'z21']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7346', '6.8826113', '0.42762471', '0.28539025', '0.14275575', '0.99865992', '0.85425445', '0.71049542', '0.56838314', '0.71015382', '0.56852204', '0.8539473', '0.99814282', '0.14221591', '0.28571418', '0.4277781', '0.78210762', '0.6392198', '0.49796739', '0.35670564', '0.21411737', '0.070511556', '0.92625171']
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', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd']
representative atom coordinates =  [[0.         0.         0.42762471]
 [0.         0.         0.28539025]
 [0.         0.         0.14275575]
 [0.         0.         0.99865992]
 [0.5        0.5        0.71015382]
 [0.5        0.5        0.56852204]
 [0.5        0.5        0.8539473 ]
 [0.5        0.         0.78210762]
 [0.5        0.         0.6392198 ]
 [0.5        0.         0.49796739]
 [0.5        0.         0.35670564]
 [0.5        0.         0.21411737]
 [0.5        0.         0.07051156]
 [0.5        0.         0.92625171]
 [0.         0.         0.85425445]
 [0.         0.         0.71049542]
 [0.         0.         0.56838314]
 [0.5        0.5        0.99814282]
 [0.5        0.5        0.14221591]
 [0.5        0.5        0.28571418]
 [0.5        0.5        0.4277781 ]]
spacegroup =  99
cell =  [[3.7346, 0, 0], [0, 3.7346, 0], [0, 0, 25.7038]]
=========================================