ASE database

Displaying rows 1-17 out of 17
↓ ID ✕ Formula ✕ Maximum force ✕ PBC ✕ Charge ✕ Energy ✕ Calculator ✕
1 B30 0.340 TTT 0.000 -186.489 vasp
2 B36 0.343 TTT 0.000 -224.231 vasp
3 B16 0.278 TTT 0.000 -99.359 vasp
4 B42 0.333 TTT 0.000 -262.002 vasp
5 B48 0.322 TTT 0.000 -299.763 vasp
6 B12 0.808 TTT 0.000 -74.778 vasp
7 B22 0.323 TTT 0.000 -137.168 vasp
8 B22 0.543 TTT 0.000 -136.877 vasp
9 B42 0.270 TTT 0.000 -262.074 vasp
10 B48 0.231 TTT 0.000 -299.820 vasp
11 B54 0.258 TTT 0.000 -337.609 vasp
12 B18 0.292 TTT 0.000 -112.169 vasp
13 B54 0.277 TTT 0.000 -337.635 vasp
14 B60 0.286 TTT 0.000 -375.361 vasp
15 B24 0.244 TTT 0.000 -149.943 vasp
16 B30 0.279 TTT 0.000 -187.661 vasp
17 B36 0.252 TTT 0.000 -225.498 vasp