ASE database

ID Formula Username str_E ads_E Age Maximum force distance atom_E
26 Au54O hecc -169.953 -3.356 15M 0.008 1.207 -1.533
27 Au54F hecc -168.878 -3.390 15M 0.007 1.450 -0.424
28 Au54Ne hecc -165.084 -0.008 15M 0.009 3.533 -0.013
29 Au54Na hecc -167.438 -2.150 15M 0.007 2.311 -0.225
30 Au54Mg hecc -166.817 -1.750 15M 0.010 1.912 -0.004
31 AlAu54 hecc -168.662 -3.303 15M 0.010 1.789 -0.295
32 Au54Si hecc -169.936 -4.042 15M 0.004 1.628 -0.830
33 Au54P hecc -170.059 -3.107 15M 0.009 1.558 -1.888
34 Au54S hecc -169.436 -3.427 15M 0.005 1.610 -0.945
35 Au54Cl hecc -168.055 -2.748 15M 0.005 1.850 -0.243
36 Au54Ar hecc -165.093 -0.004 15M 0.008 3.651 -0.025
37 Au54H hecc -168.134 -1.953 15M 0.009 1.595 -1.117
38 Au54He hecc -165.067 -0.005 15M 0.008 3.705 0.002
39 Au54Li hecc -167.627 -2.265 15M 0.005 2.190 -0.299
40 Au54Be hecc -166.735 -1.631 15M 0.007 2.075 -0.039
41 Au54B hecc -168.412 -2.999 15M 0.007 1.936 -0.349
42 Au54C hecc -169.007 -2.695 15M 0.010 1.843 -1.248
43 Au54N hecc -168.955 -0.767 15M 0.005 1.846 -3.124
44 Au54O hecc -168.874 -2.278 15M 0.009 1.899 -1.533
45 Au54F hecc -168.510 -3.022 15M 0.008 2.054 -0.424
46 Au54Ne hecc -165.081 -0.004 15M 0.007 3.612 -0.013
47 Au54Na hecc -167.240 -1.952 15M 0.008 2.484 -0.225
48 Au54Mg hecc -166.341 -1.273 15M 0.010 2.361 -0.004
49 AlAu54 hecc -168.104 -2.745 15M 0.008 2.346 -0.295
50 Au54Si hecc -168.778 -2.884 15M 0.007 2.049 -0.830