ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Dipole_val ✕ no_equ_16 ✕ atom_E ✕ no_equ_8 ✕ no_equ_20 ✕ Energy ✕ no_equ_29 ✕ str_E ✕
1 -2.989 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -0.299 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - -193.113 - -193.113
2 -0.069 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -0.039 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - -193.566 - -193.566
3 0.558 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -0.349 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - -196.413 - -196.413
4 0.431 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -1.248 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -198.094 - -198.094
5 0.356 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -3.124 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - -198.315 - -198.315
6 0.473 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -1.533 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - -197.510 - -197.510
7 0.677 - -0.424 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - -195.280 - -195.280
8 -0.049 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -0.025 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -190.598 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 -190.598