ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Energy ✕ Maximum force ✕ Calculator ✕
1 C60H18 -601.226 0.010 vasp
2 C60H18 -597.550 0.103 vasp
3 C60H18 -594.198 0.514 vasp
4 C60H18 -595.860 0.010 vasp
5 C60H18 -594.706 0.777 vasp
6 C60H18 -595.719 0.842 vasp
7 C60H18 -596.924 0.043 vasp
8 C60H18 -597.862 0.877 vasp
9 C60H18 -595.755 0.009 vasp
10 C60H18 -595.314 0.692 vasp
11 C60H18 -594.009 0.295 vasp
12 C60H18 -589.931 2.070 vasp
13 C60H18 -593.931 0.668 vasp
14 C60H18 -592.196 1.121 vasp
15 C60H18 -595.084 0.866 vasp
16 C60H18 -597.082 0.389 vasp
17 C60H18 -596.384 0.062 vasp
18 C60H18 -596.571 0.009 vasp
19 C60H18 -596.873 0.008 vasp
20 C60H18 -592.840 0.010 vasp
21 C60H18 -596.337 1.042 vasp
22 C60H18 -594.138 0.009 vasp
23 C60H18 -598.073 0.008 vasp
24 C60H18 -595.946 0.579 vasp
25 C60H18 -593.749 0.010 vasp