ASE database

Displaying rows 1-8 out of 8
↓ 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 ✕ no_equ_15 ✕ Dipole_val ✕ no_equ_23 ✕ no_equ_16 ✕ no_equ_4 ✕ Charge ✕ no_equ_29 ✕
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 - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 -2.989 - ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 0.000 -
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 - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 -0.069 - ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 0.000 -
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 - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 0.558 - ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 0.000 -
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 - ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 0.431 - ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 0.000 -
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 - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 0.356 - ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 0.000 -
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 - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 0.473 - ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 0.000 -
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 - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 0.677 - - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 0.000 -
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 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 -0.049 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 0.000 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005