ASE database

ID Formula Dipole_val Username PBC Maximum force Calculator plane_index Magnetic moment
26 Au54O 1.316 hecc TTT 0.008 vasp 100 -0.000
27 Au54F 1.353 hecc TTT 0.007 vasp 100 0.000
28 Au54Ne -0.015 hecc TTT 0.009 vasp 100 0.000
29 Au54Na -5.551 hecc TTT 0.007 vasp 100 0.000
30 Au54Mg -3.232 hecc TTT 0.010 vasp 100 0.000
31 AlAu54 -1.327 hecc TTT 0.010 vasp 100 -0.000
32 Au54Si -0.547 hecc TTT 0.004 vasp 100 -0.000
33 Au54P 0.123 hecc TTT 0.009 vasp 100 -0.000
34 Au54S 0.877 hecc TTT 0.005 vasp 100 0.000
35 Au54Cl 0.954 hecc TTT 0.005 vasp 100 0.000
36 Au54Ar -0.099 hecc TTT 0.008 vasp 100 0.000
37 Au54H 0.155 hecc TTT 0.009 vasp 100 -0.000
38 Au54He -0.015 hecc TTT 0.008 vasp 100 0.000
39 Au54Li -5.047 hecc TTT 0.005 vasp 100 -0.000
40 Au54Be -1.560 hecc TTT 0.007 vasp 100 0.000
41 Au54B 0.021 hecc TTT 0.007 vasp 100 0.000
42 Au54C 0.691 hecc TTT 0.010 vasp 100 0.000
43 Au54N 1.558 hecc TTT 0.005 vasp 100 0.000
44 Au54O 2.393 hecc TTT 0.009 vasp 100 0.000
45 Au54F 2.726 hecc TTT 0.008 vasp 100 -0.000
46 Au54Ne -0.019 hecc TTT 0.007 vasp 100 0.000
47 Au54Na -6.299 hecc TTT 0.008 vasp 100 0.000
48 Au54Mg -3.297 hecc TTT 0.010 vasp 100 -0.000
49 AlAu54 -2.036 hecc TTT 0.008 vasp 100 0.000
50 Au54Si -1.163 hecc TTT 0.007 vasp 100 -0.000