ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Mass ✕ Volume ✕ atom_E ✕ Calculator ✕ PBC ✕ Maximum force ✕
1 17285.869 2654.442 -1.117 vasp TTT 0.008
2 17285.869 2654.442 0.002 vasp TTT 0.006
3 17285.869 2654.442 -0.299 vasp TTT 0.008
4 17285.869 2654.442 -0.039 vasp TTT 0.008
5 17285.869 2654.442 -0.349 vasp TTT 0.008
6 17285.869 2654.442 -1.248 vasp TTT 0.009
7 17285.869 2654.442 -3.124 vasp TTT 0.008
8 17285.869 2654.442 -1.533 vasp TTT 0.009
9 17285.869 2654.442 -0.424 vasp TTT 0.005
10 17285.869 2654.442 -0.013 vasp TTT 0.010
11 17285.869 2654.442 -0.225 vasp TTT 0.005
12 17285.869 2654.442 -0.004 vasp TTT 0.010
13 17285.869 2654.442 -0.295 vasp TTT 0.010
14 17285.869 2654.442 -0.830 vasp TTT 0.006
15 17285.869 2654.442 -1.888 vasp TTT 0.006
16 17285.869 2654.442 -0.945 vasp TTT 0.007
17 17285.869 2654.442 -0.243 vasp TTT 0.010
18 17285.869 2654.442 -0.025 vasp TTT 0.006
19 17285.869 2654.442 -1.117 vasp TTT 0.010
20 17285.869 2654.442 0.002 vasp TTT 0.009
21 17285.869 2654.442 -0.299 vasp TTT 0.009
22 17285.869 2654.442 -0.039 vasp TTT 0.009
23 17285.869 2654.442 -0.349 vasp TTT 0.009
24 17285.869 2654.442 -1.248 vasp TTT 0.006
25 17285.869 2654.442 -3.124 vasp TTT 0.010