ASE database

Displaying rows 26-50 out of 594
↓ ID ✕ Calculator ✕ atom_E ✕ ads_E ✕ Charge ✕ Magnetic moment ✕ Maximum force ✕
26 vasp -1.533 -3.356 0.000 -0.000 0.008
27 vasp -0.424 -3.390 0.000 0.000 0.007
28 vasp -0.013 -0.008 0.000 0.000 0.009
29 vasp -0.225 -2.150 0.000 0.000 0.007
30 vasp -0.004 -1.750 0.000 0.000 0.010
31 vasp -0.295 -3.303 0.000 -0.000 0.010
32 vasp -0.830 -4.042 0.000 -0.000 0.004
33 vasp -1.888 -3.107 0.000 -0.000 0.009
34 vasp -0.945 -3.427 0.000 0.000 0.005
35 vasp -0.243 -2.748 0.000 0.000 0.005
36 vasp -0.025 -0.004 0.000 0.000 0.008
37 vasp -1.117 -1.953 0.000 -0.000 0.009
38 vasp 0.002 -0.005 0.000 0.000 0.008
39 vasp -0.299 -2.265 0.000 -0.000 0.005
40 vasp -0.039 -1.631 0.000 0.000 0.007
41 vasp -0.349 -2.999 0.000 0.000 0.007
42 vasp -1.248 -2.695 0.000 0.000 0.010
43 vasp -3.124 -0.767 0.000 0.000 0.005
44 vasp -1.533 -2.278 0.000 0.000 0.009
45 vasp -0.424 -3.022 0.000 -0.000 0.008
46 vasp -0.013 -0.004 0.000 0.000 0.007
47 vasp -0.225 -1.952 0.000 0.000 0.008
48 vasp -0.004 -1.273 0.000 -0.000 0.010
49 vasp -0.295 -2.745 0.000 0.000 0.008
50 vasp -0.830 -2.884 0.000 -0.000 0.007