ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Energy ✕ no_equ_9 ✕ no_equ_28 ✕ no_equ_30 ✕ no_equ_2 ✕
1 -193.113 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 - - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567
2 -193.566 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 - - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415
3 -196.413 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 - - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180
4 -198.094 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 - - ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067
5 -198.315 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 - - ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156
6 -197.510 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 - - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909
7 -195.280 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 - - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637
8 -190.598 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278