ASE database

ID Formula distance Age str_E PBC Number of atoms ads_E Maximum force
26 Au54O 1.207 15M -169.953 TTT 55 -3.356 0.008
27 Au54F 1.450 15M -168.878 TTT 55 -3.390 0.007
28 Au54Ne 3.533 15M -165.084 TTT 55 -0.008 0.009
29 Au54Na 2.311 15M -167.438 TTT 55 -2.150 0.007
30 Au54Mg 1.912 15M -166.817 TTT 55 -1.750 0.010
31 AlAu54 1.789 15M -168.662 TTT 55 -3.303 0.010
32 Au54Si 1.628 15M -169.936 TTT 55 -4.042 0.004
33 Au54P 1.558 15M -170.059 TTT 55 -3.107 0.009
34 Au54S 1.610 15M -169.436 TTT 55 -3.427 0.005
35 Au54Cl 1.850 15M -168.055 TTT 55 -2.748 0.005
36 Au54Ar 3.651 15M -165.093 TTT 55 -0.004 0.008
37 Au54H 1.595 15M -168.134 TTT 55 -1.953 0.009
38 Au54He 3.705 15M -165.067 TTT 55 -0.005 0.008
39 Au54Li 2.190 15M -167.627 TTT 55 -2.265 0.005
40 Au54Be 2.075 15M -166.735 TTT 55 -1.631 0.007
41 Au54B 1.936 15M -168.412 TTT 55 -2.999 0.007
42 Au54C 1.843 15M -169.007 TTT 55 -2.695 0.010
43 Au54N 1.846 15M -168.955 TTT 55 -0.767 0.005
44 Au54O 1.899 15M -168.874 TTT 55 -2.278 0.009
45 Au54F 2.054 15M -168.510 TTT 55 -3.022 0.008
46 Au54Ne 3.612 15M -165.081 TTT 55 -0.004 0.007
47 Au54Na 2.484 15M -167.240 TTT 55 -1.952 0.008
48 Au54Mg 2.361 15M -166.341 TTT 55 -1.273 0.010
49 AlAu54 2.346 15M -168.104 TTT 55 -2.745 0.008
50 Au54Si 2.049 15M -168.778 TTT 55 -2.884 0.007