ASE database

Displaying rows 1-31 out of 31
↓ ID ✕ Maximum force ✕ Energy ✕ Charge ✕ Number of atoms ✕ Formula ✕
1 0.010 -601.226 0.000 78 C60H18
2 0.103 -597.550 0.000 78 C60H18
3 0.514 -594.198 0.000 78 C60H18
4 0.010 -595.860 0.000 78 C60H18
5 0.777 -594.706 0.000 78 C60H18
6 0.842 -595.719 0.000 78 C60H18
7 0.043 -596.924 0.000 78 C60H18
8 0.877 -597.862 0.000 78 C60H18
9 0.009 -595.755 0.000 78 C60H18
10 0.692 -595.314 0.000 78 C60H18
11 0.295 -594.009 0.000 78 C60H18
12 2.070 -589.931 0.000 78 C60H18
13 0.668 -593.931 0.000 78 C60H18
14 1.121 -592.196 0.000 78 C60H18
15 0.866 -595.084 0.000 78 C60H18
16 0.389 -597.082 0.000 78 C60H18
17 0.062 -596.384 0.000 78 C60H18
18 0.009 -596.571 0.000 78 C60H18
19 0.008 -596.873 0.000 78 C60H18
20 0.010 -592.840 0.000 78 C60H18
21 1.042 -596.337 0.000 78 C60H18
22 0.009 -594.138 0.000 78 C60H18
23 0.008 -598.073 0.000 78 C60H18
24 0.579 -595.946 0.000 78 C60H18
25 0.010 -593.749 0.000 78 C60H18
26 0.495 -593.061 0.000 78 C60H18
27 1.020 -599.861 0.000 78 C60H18
28 0.251 -593.067 0.000 78 C60H18
29 0.008 -595.788 0.000 78 C60H18
30 0.929 -596.856 0.000 78 C60H18
31 0.916 -599.917 0.000 78 C60H18
32 0.447 -600.810 0.000 78 C60H18
33 0.471 -595.218 0.000 78 C60H18
34 1.207 -595.215 0.000 78 C60H18
35 0.274 -596.684 0.000 78 C60H18
36 0.007 -597.017 0.000 78 C60H18
37 0.082 -596.466 0.000 78 C60H18
38 0.010 -593.190 0.000 78 C60H18
39 262.047 325.625 0.000 78 C60H18
40 0.725 -593.937 0.000 78 C60H18
41 0.596 -594.638 0.000 78 C60H18
42 1.189 -594.826 0.000 78 C60H18
43 0.009 -597.430 0.000 78 C60H18
44 0.694 -597.898 0.000 78 C60H18
45 0.992 -598.737 0.000 78 C60H18
46 109.571 -107.098 0.000 78 C60H18
47 0.009 -596.914 0.000 78 C60H18
48 0.245 -593.312 0.000 78 C60H18
49 0.009 -595.887 0.000 78 C60H18
50 0.008 -598.481 0.000 78 C60H18