ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_26 ✕ Calculator ✕ no_equ_4 ✕ Volume ✕ no_equ_29 ✕ no_equ_30 ✕
1 - vasp ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 1730.483 - -
2 - vasp ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 1730.483 - -
3 - vasp ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 1730.483 - -
4 - vasp ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 1730.483 - -
5 - vasp ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 1730.483 - -
6 - vasp ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 1730.483 - -
7 - vasp ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 1730.483 - -
8 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 vasp ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 1730.483 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005