ASE database

Displaying rows 1-18 out of 18
↓ ID ✕ no_equ_21 ✕ no_equ_14 ✕ no_equ_22 ✕ Calculator ✕
1 - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 - vasp
2 - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 - vasp
3 - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 - vasp
4 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 - vasp
5 - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 - vasp
6 - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 - vasp
7 - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 - vasp
8 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 vasp