ASE database

Displaying rows 1-10 out of 18
↓ ID ✕ no_equ_16 ✕ atom_E ✕ no_equ_28 ✕ no_equ_11 ✕
1 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -0.299 - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
2 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -0.039 - ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
3 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -0.349 - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
4 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -1.248 - ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
5 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -3.124 - ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
6 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -1.533 - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
7 - -0.424 - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
8 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -0.025 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012