ASE database

ID Formula Charge Maximum force Mass ads_site str_E distance Dipole_val
26 Au54O 0.000 0.008 10652.194 1b -169.953 1.207 1.316
27 Au54F 0.000 0.007 10655.193 1b -168.878 1.450 1.353
28 Au54Ne 0.000 0.009 10656.374 1b -165.084 3.533 -0.015
29 Au54Na 0.000 0.007 10659.184 1b -167.438 2.311 -5.551
30 Au54Mg 0.000 0.010 10660.500 1b -166.817 1.912 -3.232
31 AlAu54 0.000 0.010 10663.176 1b -168.662 1.789 -1.327
32 Au54Si 0.000 0.004 10664.280 1b -169.936 1.628 -0.547
33 Au54P 0.000 0.009 10667.168 1b -170.059 1.558 0.123
34 Au54S 0.000 0.005 10668.255 1b -169.436 1.610 0.877
35 Au54Cl 0.000 0.005 10671.645 1b -168.055 1.850 0.954
36 Au54Ar 0.000 0.008 10676.143 1b -165.093 3.651 -0.099
37 Au54H 0.000 0.009 10637.203 0t -168.134 1.595 0.155
38 Au54He 0.000 0.008 10640.197 0t -165.067 3.705 -0.015
39 Au54Li 0.000 0.005 10643.135 0t -167.627 2.190 -5.047
40 Au54Be 0.000 0.007 10645.207 0t -166.735 2.075 -1.560
41 Au54B 0.000 0.007 10647.005 0t -168.412 1.936 0.021
42 Au54C 0.000 0.010 10648.206 0t -169.007 1.843 0.691
43 Au54N 0.000 0.005 10650.202 0t -168.955 1.846 1.558
44 Au54O 0.000 0.009 10652.194 0t -168.874 1.899 2.393
45 Au54F 0.000 0.008 10655.193 0t -168.510 2.054 2.726
46 Au54Ne 0.000 0.007 10656.374 0t -165.081 3.612 -0.019
47 Au54Na 0.000 0.008 10659.184 0t -167.240 2.484 -6.299
48 Au54Mg 0.000 0.010 10660.500 0t -166.341 2.361 -3.297
49 AlAu54 0.000 0.008 10663.176 0t -168.104 2.346 -2.036
50 Au54Si 0.000 0.007 10664.280 0t -168.778 2.049 -1.163