ASE database

Displaying rows 1-25 out of 2180
↓ ID ✕ Volume ✕ no_equ_2 ✕ atom_E ✕ no_equ_6 ✕ Charge ✕ Dipole_val ✕ no_equ_10 ✕
1 1730.483 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 -0.299 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 0.000 -2.989 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
2 1730.483 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 -0.039 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 0.000 -0.069 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
3 1730.483 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 -0.349 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 0.000 0.558 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
4 1730.483 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 -1.248 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 0.000 0.431 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
5 1730.483 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 -3.124 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 0.000 0.356 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
6 1730.483 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 -1.533 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 0.000 0.473 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
7 1730.483 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 -0.424 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 0.000 0.677 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
8 1730.483 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 -0.025 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 0.000 -0.049 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014