ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_31 ✕ no_equ_20 ✕ no_equ_13 ✕ Username ✕ Calculator ✕
1 - - ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 hecc vasp
2 - - ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 hecc vasp
3 - - ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 hecc vasp
4 - ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 hecc vasp
5 - - ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 hecc vasp
6 - - ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 hecc vasp
7 - - ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 hecc vasp
8 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 hecc vasp