ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ distance ✕ no_equ_25 ✕ no_equ_19 ✕ no_equ_28 ✕ no_equ_20 ✕ Energy ✕ no_equ_11 ✕ no_equ_8 ✕
1 1.865 - - - - -193.113 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940
2 1.012 - - - - -193.566 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327
3 0.409 - - - - -196.413 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122
4 0.260 - ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -198.094 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472
5 0.399 - ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - - -198.315 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917
6 0.772 - - - - -197.510 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973
7 1.238 - - - - -195.280 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537
8 3.861 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -190.598 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017