ASE database

ID Formula Maximum force atom_E Volume Calculator ads_E
26 Au54O 0.008 -1.533 2654.442 vasp -3.356
27 Au54F 0.007 -0.424 2654.442 vasp -3.390
28 Au54Ne 0.009 -0.013 2654.442 vasp -0.008
29 Au54Na 0.007 -0.225 2654.442 vasp -2.150
30 Au54Mg 0.010 -0.004 2654.442 vasp -1.750
31 AlAu54 0.010 -0.295 2654.442 vasp -3.303
32 Au54Si 0.004 -0.830 2654.442 vasp -4.042
33 Au54P 0.009 -1.888 2654.442 vasp -3.107
34 Au54S 0.005 -0.945 2654.442 vasp -3.427
35 Au54Cl 0.005 -0.243 2654.442 vasp -2.748
36 Au54Ar 0.008 -0.025 2654.442 vasp -0.004
37 Au54H 0.009 -1.117 2654.442 vasp -1.953
38 Au54He 0.008 0.002 2654.442 vasp -0.005
39 Au54Li 0.005 -0.299 2654.442 vasp -2.265
40 Au54Be 0.007 -0.039 2654.442 vasp -1.631
41 Au54B 0.007 -0.349 2654.442 vasp -2.999
42 Au54C 0.010 -1.248 2654.442 vasp -2.695
43 Au54N 0.005 -3.124 2654.442 vasp -0.767
44 Au54O 0.009 -1.533 2654.442 vasp -2.278
45 Au54F 0.008 -0.424 2654.442 vasp -3.022
46 Au54Ne 0.007 -0.013 2654.442 vasp -0.004
47 Au54Na 0.008 -0.225 2654.442 vasp -1.952
48 Au54Mg 0.010 -0.004 2654.442 vasp -1.273
49 AlAu54 0.008 -0.295 2654.442 vasp -2.745
50 Au54Si 0.007 -0.830 2654.442 vasp -2.884