ASE database

Displaying rows 1-25 out of 414
↓ ID ✕ Formula ✕ Maximum force ✕ Username ✕ perms_num ✕ Calculator ✕ Charge ✕ Age ✕ Mass ✕ PBC ✕
1 C60H24 0.074 mse-gucc 1 vasp 0.000 6y 744.852 TTT
2 C60H24 0.411 mse-gucc 1 vasp 0.000 6y 744.852 TTT
3 C60H24 0.940 mse-gucc 1 vasp 0.000 6y 744.852 TTT
4 C60H24 0.807 mse-gucc 1 vasp 0.000 6y 744.852 TTT
5 C60H24 0.273 mse-gucc 1 vasp 0.000 6y 744.852 TTT
6 C60H24 0.991 mse-gucc 2 vasp 0.000 6y 744.852 TTT
7 C60H24 0.497 mse-gucc 1 vasp 0.000 6y 744.852 TTT
8 C60H24 10.605 mse-gucc 2 vasp 0.000 6y 744.852 TTT
9 C60H24 0.029 mse-gucc 4 vasp 0.000 6y 744.852 TTT
10 C60H24 0.805 mse-gucc 2 vasp 0.000 6y 744.852 TTT
11 C60H24 0.009 mse-gucc 1 vasp 0.000 6y 744.852 TTT
12 C60H24 0.099 mse-gucc 2 vasp 0.000 6y 744.852 TTT
13 C60H24 0.787 mse-gucc 2 vasp 0.000 6y 744.852 TTT
14 C60H24 0.581 mse-gucc 2 vasp 0.000 6y 744.852 TTT
15 C60H24 0.420 mse-gucc 2 vasp 0.000 6y 744.852 TTT
16 C60H24 14.369 mse-gucc 2 vasp 0.000 6y 744.852 TTT
17 C60H24 0.564 mse-gucc 2 vasp 0.000 6y 744.852 TTT
18 C60H24 0.009 mse-gucc 1 vasp 0.000 6y 744.852 TTT
19 C60H24 10.655 mse-gucc 2 vasp 0.000 6y 744.852 TTT
20 C60H24 0.552 mse-gucc 2 vasp 0.000 6y 744.852 TTT
21 C60H24 0.764 mse-gucc 1 vasp 0.000 6y 744.852 TTT
22 C60H24 0.290 mse-gucc 2 vasp 0.000 6y 744.852 TTT
23 C60H24 0.473 mse-gucc 2 vasp 0.000 6y 744.852 TTT
24 C60H24 0.268 mse-gucc 1 vasp 0.000 6y 744.852 TTT
25 C60H24 0.669 mse-gucc 2 vasp 0.000 6y 744.852 TTT