ASE database

ID Formula Maximum force Calculator Username Energy perms_num
26 C60H24 1.485 vasp mse-gucc -617.979 2
27 C60H24 1.470 vasp mse-gucc -620.680 1
28 C60H24 0.009 vasp mse-gucc -618.367 2
29 C60H24 0.006 vasp mse-gucc -618.766 4
30 C60H24 38.633 vasp mse-gucc -401.173 2
31 C60H24 0.575 vasp mse-gucc -622.867 2
32 C60H24 0.892 vasp mse-gucc -618.225 1
33 C60H24 0.010 vasp mse-gucc -619.974 1
34 C60H24 0.560 vasp mse-gucc -624.312 1
35 C60H24 0.978 vasp mse-gucc -619.092 4
36 C60H24 14.719 vasp mse-gucc -570.853 4
37 C60H24 0.234 vasp mse-gucc -616.110 1
38 C60H24 0.170 vasp mse-gucc -619.846 2
39 C60H24 0.365 vasp mse-gucc -620.495 2
40 C60H24 0.008 vasp mse-gucc -623.407 2
41 C60H24 0.342 vasp mse-gucc -619.411 4
42 C60H24 1.033 vasp mse-gucc -620.569 1
43 C60H24 0.429 vasp mse-gucc -619.368 1
44 C60H24 0.554 vasp mse-gucc -616.709 1
45 C60H24 0.830 vasp mse-gucc -620.662 1
46 C60H24 1.270 vasp mse-gucc -616.772 1
47 C60H24 1.014 vasp mse-gucc -618.153 1
48 C60H24 0.726 vasp mse-gucc -619.086 1
49 C60H24 1.096 vasp mse-gucc -620.958 1
50 C60H24 952.982 vasp mse-gucc 718.513 1