ASE database

Displaying rows 1-25 out of 31
↓ ID ✕ distance ✕ no_equ_28 ✕ Volume ✕ Magnetic moment ✕ no_equ_4 ✕ no_equ_7 ✕ no_equ_23 ✕ no_equ_26 ✕ atom_E ✕ no_equ_5 ✕ no_equ_6 ✕
1 1.865 - 1730.483 0.000 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 - - -0.299 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
2 1.012 - 1730.483 -0.000 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 - - -0.039 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
3 0.409 - 1730.483 0.000 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 - - -0.349 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
4 0.260 - 1730.483 -0.000 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 - - -1.248 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
5 0.399 - 1730.483 -0.000 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 - - -3.124 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
6 0.772 - 1730.483 0.000 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 - - -1.533 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
7 1.238 - 1730.483 -0.000 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 - - -0.424 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
8 3.861 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 1730.483 -0.000 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 -0.025 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007