ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_22 ✕ Dipole_val ✕ atom_E ✕ no_equ_25 ✕ no_equ_4 ✕
1 - -2.989 -0.299 - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
2 - -0.069 -0.039 - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
3 - 0.558 -0.349 - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
4 - 0.431 -1.248 - ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
5 - 0.356 -3.124 - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
6 - 0.473 -1.533 - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
7 - 0.677 -0.424 - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
8 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 -0.049 -0.025 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057