ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_21 ✕ no_equ_12 ✕ no_equ_20 ✕ Mass ✕ no_equ_6 ✕ no_equ_7 ✕ Energy ✕ no_equ_1 ✕
1 - ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 - 17285.869 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 -193.113 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 - ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 - 17285.869 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -193.566 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 - ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 - 17285.869 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 -196.413 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 17285.869 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 -198.094 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 - ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 - 17285.869 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 -198.315 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 - ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 - 17285.869 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 -197.510 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 - ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 - 17285.869 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -195.280 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 17285.869 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -190.598 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500