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 ✕ no_equ_22 ✕ str_E ✕ no_equ_7 ✕ no_equ_10 ✕
-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 - - - - -193.113 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
-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 - - - - -193.566 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
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 - - - - -196.413 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
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 - - -198.094 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
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 - - - - -198.315 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
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 - - - - -197.510 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
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 - - - - -195.280 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
-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 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 -190.598 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014