ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ atom_E ✕ no_equ_24 ✕ no_equ_18 ✕ no_equ_12 ✕ slab_E ✕ str_E ✕ no_equ_20 ✕ no_equ_5 ✕ no_equ_31 ✕
1 -0.299 - - ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 -190.592 -193.113 - ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 -
2 -0.039 - ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 -190.592 -193.566 - ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 -
3 -0.349 - - ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 -190.592 -196.413 - ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 -
4 -1.248 - ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 -190.592 -198.094 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 -
5 -3.124 - ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 -190.592 -198.315 - ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 -
6 -1.533 - - ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 -190.592 -197.510 - ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 -
7 -0.424 - - ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 -190.592 -195.280 - ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 -
8 -0.025 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 -190.592 -190.598 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005