ASE database

ID Formula ads_E Maximum force Calculator Energy Username
1 Au54H -1.889 0.008 vasp -168.070 hecc
2 Au54He -0.007 0.006 vasp -165.069 hecc
3 Au54Li -2.868 0.008 vasp -168.230 hecc
4 Au54Be -4.044 0.008 vasp -169.147 hecc
5 Au54B -5.643 0.008 vasp -171.055 hecc
6 Au54C -4.895 0.009 vasp -171.207 hecc
7 Au54N -2.390 0.008 vasp -170.577 hecc
8 Au54O -3.329 0.009 vasp -169.926 hecc
9 Au54F -3.208 0.005 vasp -168.695 hecc
10 Au54Ne -0.009 0.010 vasp -165.085 hecc
11 Au54Na -2.363 0.005 vasp -167.652 hecc
12 Au54Mg -2.441 0.010 vasp -167.509 hecc
13 AlAu54 -4.253 0.010 vasp -169.611 hecc
14 Au54Si -5.051 0.006 vasp -170.944 hecc
15 Au54P -4.079 0.006 vasp -171.031 hecc
16 Au54S -3.898 0.007 vasp -169.906 hecc
17 Au54Cl -2.562 0.010 vasp -167.868 hecc
18 Au54Ar -0.005 0.006 vasp -165.095 hecc
19 Au54H -2.247 0.010 vasp -168.428 hecc
20 Au54He -0.007 0.009 vasp -165.069 hecc
21 Au54Li -2.541 0.009 vasp -167.904 hecc
22 Au54Be -2.713 0.009 vasp -167.816 hecc
23 Au54B -4.341 0.009 vasp -169.754 hecc
24 Au54C -4.185 0.006 vasp -170.497 hecc
25 Au54N -2.172 0.010 vasp -170.360 hecc