ASE database

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