ASE database

ID no_equ_7 Mass no_equ_5 no_equ_22 no_equ_25 plane_index ads_E no_equ_20 atom_E no_equ_18 PBC Volume no_equ_14 str_E no_equ_24
1 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 17285.869 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 - - 100 -2.222 - -0.299 - TTT 1730.483 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 -193.113 -
2 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 17285.869 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 - - 100 -2.934 - -0.039 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 TTT 1730.483 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 -193.566 -
3 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 17285.869 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 - - 100 -5.472 - -0.349 - TTT 1730.483 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 -196.413 -
4 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 17285.869 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 - - 100 -6.254 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -1.248 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 TTT 1730.483 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 -198.094 -
5 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 17285.869 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 - - 100 -4.599 - -3.124 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 TTT 1730.483 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 -198.315 -
6 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 17285.869 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 - - 100 -5.385 - -1.533 - TTT 1730.483 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 -197.510 -
7 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 17285.869 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 - - 100 -4.264 - -0.424 - TTT 1730.483 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 -195.280 -
8 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 17285.869 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 100 0.020 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -0.025 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 TTT 1730.483 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 -190.598 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005