ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Energy ✕ no_equ_9 ✕ no_equ_28 ✕ no_equ_30 ✕ no_equ_2 ✕ no_equ_31 ✕ no_equ_16 ✕
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 - ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058
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 - ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696
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 - ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007
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 - ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513
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 - ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007
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 - ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168
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 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006