ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_22 ✕ atom_E ✕ no_equ_25 ✕ no_equ_5 ✕ no_equ_13 ✕ no_equ_28 ✕ no_equ_21 ✕ Energy ✕ Username ✕ no_equ_31 ✕
1 - -0.299 - ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 - - -193.113 hecc -
2 - -0.039 - ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 - - -193.566 hecc -
3 - -0.349 - ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 - - -196.413 hecc -
4 - -1.248 - ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 -198.094 hecc -
5 - -3.124 - ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 - - -198.315 hecc -
6 - -1.533 - ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 - - -197.510 hecc -
7 - -0.424 - ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 - - -195.280 hecc -
8 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 -0.025 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 -190.598 hecc ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005