ASE database

ID Formula Username Number of atoms atom_E Dipole_val Mass
1 Au54H hecc 55 -1.117 -0.123 10637.203
2 Au54He hecc 55 0.002 -0.011 10640.197
3 Au54Li hecc 55 -0.299 -2.696 10643.135
4 Au54Be hecc 55 -0.039 -0.238 10645.207
5 Au54B hecc 55 -0.349 -0.022 10647.005
6 Au54C hecc 55 -1.248 0.044 10648.206
7 Au54N hecc 55 -3.124 0.360 10650.202
8 Au54O hecc 55 -1.533 0.594 10652.194
9 Au54F hecc 55 -0.424 1.029 10655.193
10 Au54Ne hecc 55 -0.013 -0.012 10656.374
11 Au54Na hecc 55 -0.225 -4.669 10659.184
12 Au54Mg hecc 55 -0.004 -2.555 10660.500
13 AlAu54 hecc 55 -0.295 -0.805 10663.176
14 Au54Si hecc 55 -0.830 -0.276 10664.280
15 Au54P hecc 55 -1.888 0.008 10667.168
16 Au54S hecc 55 -0.945 0.191 10668.255
17 Au54Cl hecc 55 -0.243 0.752 10671.645
18 Au54Ar hecc 55 -0.025 -0.077 10676.143
19 Au54H hecc 55 -1.117 -0.004 10637.203
20 Au54He hecc 55 0.002 -0.017 10640.197
21 Au54Li hecc 55 -0.299 -3.955 10643.135
22 Au54Be hecc 55 -0.039 -1.093 10645.207
23 Au54B hecc 55 -0.349 -0.008 10647.005
24 Au54C hecc 55 -1.248 0.475 10648.206
25 Au54N hecc 55 -3.124 0.930 10650.202