ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Dipole_val ✕ no_equ_16 ✕ atom_E ✕ no_equ_8 ✕ no_equ_20 ✕ Energy ✕ no_equ_29 ✕ str_E ✕ no_equ_7 ✕ no_equ_9 ✕ no_equ_19 ✕ no_equ_18 ✕
1 -2.989 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -0.299 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - -193.113 - -193.113 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 - -
2 -0.069 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -0.039 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - -193.566 - -193.566 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 - ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761
3 0.558 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -0.349 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - -196.413 - -196.413 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 - -
4 0.431 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -1.248 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 - -198.094 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335
5 0.356 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -3.124 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - -198.315 - -198.315 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002
6 0.473 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -1.533 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - -197.510 - -197.510 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 - -
7 0.677 - -0.424 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - -195.280 - -195.280 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 - -
8 -0.049 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -0.025 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -190.598 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 -190.598 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005