ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ atom_E ✕ no_equ_28 ✕ slab_E ✕ no_equ_2 ✕ no_equ_25 ✕ Username ✕ Mass ✕ no_equ_11 ✕ no_equ_26 ✕ no_equ_4 ✕ no_equ_23 ✕ distance ✕ no_equ_17 ✕
1 -0.299 - -190.592 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 - hecc 17285.869 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 - 1.865 -
2 -0.039 - -190.592 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 - hecc 17285.869 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 - 1.012 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
3 -0.349 - -190.592 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 - hecc 17285.869 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 - 0.409 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
4 -1.248 - -190.592 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 - hecc 17285.869 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 - ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 - 0.260 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
5 -3.124 - -190.592 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 - hecc 17285.869 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 - 0.399 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
6 -1.533 - -190.592 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 - hecc 17285.869 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 - 0.772 -
7 -0.424 - -190.592 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 - hecc 17285.869 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 - 1.238 -
8 -0.025 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 -190.592 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 hecc 17285.869 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 3.861 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006