ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_28 ✕ Mass ✕ no_equ_10 ✕ no_equ_1 ✕ no_equ_29 ✕ atom_E ✕ no_equ_6 ✕ no_equ_8 ✕ ads_site ✕ no_equ_26 ✕ Charge ✕ no_equ_11 ✕
1 - 17285.869 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - -0.299 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 f - 0.000 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
2 - 17285.869 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - -0.039 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 f - 0.000 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
3 - 17285.869 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - -0.349 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 f - 0.000 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
4 - 17285.869 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - -1.248 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 f - 0.000 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
5 - 17285.869 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - -3.124 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 f - 0.000 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
6 - 17285.869 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - -1.533 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 f - 0.000 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
7 - 17285.869 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - -0.424 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 f - 0.000 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
8 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 17285.869 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 -0.025 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 f ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 0.000 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012