ASE database

Displaying rows 551-8 out of 8
Energy ✕ Maximum stress ✕ Age ✕ Volume ✕ plane_index ✕ ads_E ✕ Calculator ✕ distance ✕ slab_E ✕ Magnetic moment ✕ PBC ✕ Dipole_val ✕ ads_site ✕
-195.024 0.008 13M 1730.483 111 -1.954 vasp 2.376 -192.845 -0.000 TTT -4.502 3h
-194.556 0.007 13M 1730.483 111 -1.707 vasp 2.025 -192.845 -0.000 TTT -2.595 3h
-196.324 0.007 13M 1730.483 111 -3.184 vasp 1.820 -192.845 0.000 TTT -1.006 3h
-197.777 0.006 13M 1730.483 111 -4.102 vasp 1.670 -192.845 0.000 TTT 0.043 3h
-198.547 0.006 13M 1730.483 111 -3.815 vasp 1.593 -192.845 0.000 TTT 0.624 3h
-198.308 0.006 13M 1730.483 111 -4.518 vasp 1.602 -192.845 0.000 TTT 0.764 3h
-196.481 0.006 13M 1730.483 111 -3.393 vasp 1.841 -192.845 -0.000 TTT 0.388 3h
-192.878 0.007 13M 1730.483 111 -0.008 vasp 3.920 -192.845 0.000 TTT -0.053 3h
-196.523 0.007 13M 1730.483 111 -2.559 vasp 0.916 -192.845 -0.000 TTT 0.014 1b
-192.846 0.007 13M 1730.483 111 -0.003 vasp 3.776 -192.845 0.000 TTT -0.017 1b
-195.466 0.008 13M 1730.483 111 -2.322 vasp 2.025 -192.845 0.000 TTT -3.370 1b
-195.474 0.008 13M 1730.483 111 -2.589 vasp 1.308 -192.845 -0.000 TTT -0.736 1b
-197.691 0.008 13M 1730.483 111 -4.498 vasp 0.834 -192.845 0.000 TTT 0.322 1b
-199.256 0.008 13M 1730.483 111 -5.161 vasp 0.665 -192.845 0.000 TTT 0.460 1b
-199.896 0.005 13M 1730.483 111 -3.931 vasp 0.958 -192.845 -0.000 TTT 0.716 1b
-199.469 0.005 13M 1730.483 111 -5.094 vasp 1.073 -192.845 -0.000 TTT 0.781 1b
-197.505 0.006 13M 1730.483 111 -4.236 vasp 1.409 -192.845 0.000 TTT 0.687 1b
-192.866 0.007 13M 1730.483 111 -0.008 vasp 3.657 -192.845 0.000 TTT -0.008 1b
-195.018 0.008 13M 1730.483 111 -1.948 vasp 2.384 -192.845 -0.000 TTT -4.513 1b
-194.540 0.008 13M 1730.483 111 -1.691 vasp 1.991 -192.845 0.000 TTT -2.577 1b
-196.341 0.007 13M 1730.483 111 -3.201 vasp 1.820 -192.845 0.000 TTT -0.999 1b
-197.812 0.006 13M 1730.483 111 -4.137 vasp 1.654 -192.845 -0.000 TTT 0.034 1b
-198.588 0.006 13M 1730.483 111 -3.853 vasp 1.585 -192.845 -0.000 TTT 0.602 1b
-198.347 0.005 13M 1730.483 111 -4.557 vasp 1.587 -192.845 -0.000 TTT 0.738 1b
-196.406 0.006 13M 1730.483 111 -3.318 vasp 1.895 -192.845 0.000 TTT 0.581 1b