ASE database

Displaying rows 1-25 out of 594
Dipole_val ✕ Energy ✕ Volume ✕ no_equ_9 ✕ no_equ_8 ✕ no_equ_30 ✕ no_equ_20 ✕ no_equ_26 ✕
-2.989 -193.113 1730.483 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - - -
-0.069 -193.566 1730.483 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - - -
0.558 -196.413 1730.483 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - - -
0.431 -198.094 1730.483 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 - ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -
0.356 -198.315 1730.483 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - - -
0.473 -197.510 1730.483 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - - -
0.677 -195.280 1730.483 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - - -
-0.049 -190.598 1730.483 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005