ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_21 ✕ ads_site ✕ Maximum stress ✕ no_equ_29 ✕ Energy ✕ no_equ_30 ✕ no_equ_22 ✕ Username ✕ no_equ_19 ✕ Mass ✕ no_equ_10 ✕ no_equ_2 ✕ no_equ_18 ✕
1 - f 0.009 - -193.113 - - hecc - 17285.869 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 -
2 - f 0.008 - -193.566 - - hecc - 17285.869 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761
3 - f 0.008 - -196.413 - - hecc - 17285.869 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 -
4 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 f 0.008 - -198.094 - - hecc ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 17285.869 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335
5 - f 0.007 - -198.315 - - hecc ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 17285.869 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002
6 - f 0.009 - -197.510 - - hecc - 17285.869 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 -
7 - f 0.009 - -195.280 - - hecc - 17285.869 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 -
8 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 f 0.009 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 -190.598 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 hecc ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 17285.869 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005