ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_31 ✕ no_equ_20 ✕ no_equ_13 ✕ Username ✕ Calculator ✕ no_equ_12 ✕ Maximum force ✕ str_E ✕ no_equ_25 ✕ plane_index ✕ no_equ_17 ✕
1 - - ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 hecc vasp ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 0.009 -193.113 - 100 -
2 - - ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 hecc vasp ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 0.010 -193.566 - 100 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
3 - - ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 hecc vasp ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 0.005 -196.413 - 100 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
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 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 0.010 -198.094 - 100 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
5 - - ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 hecc vasp ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 0.005 -198.315 - 100 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
6 - - ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 hecc vasp ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 0.008 -197.510 - 100 -
7 - - ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 hecc vasp ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 0.006 -195.280 - 100 -
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 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 0.007 -190.598 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 100 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006