ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_31 ✕ no_equ_7 ✕ atom_E ✕ Dipole_val ✕ Calculator ✕ no_equ_6 ✕ no_equ_20 ✕ no_equ_19 ✕ no_equ_29 ✕ no_equ_11 ✕ Age ✕ no_equ_13 ✕ Mass ✕ plane_index ✕ no_equ_1 ✕ str_E ✕
1 - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 -0.299 -2.989 vasp ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 - - - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 13M ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 17285.869 100 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 -193.113
2 - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -0.039 -0.069 vasp ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 - - - ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 13M ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 17285.869 100 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 -193.566
3 - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 -0.349 0.558 vasp ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 - - - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 13M ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 17285.869 100 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 -196.413
4 - ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 -1.248 0.431 vasp ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 13M ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 17285.869 100 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 -198.094
5 - ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 -3.124 0.356 vasp ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 - ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 13M ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 17285.869 100 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 -198.315
6 - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 -1.533 0.473 vasp ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 - - - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 13M ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 17285.869 100 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 -197.510
7 - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -0.424 0.677 vasp ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 - - - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 13M ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 17285.869 100 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 -195.280
8 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -0.025 -0.049 vasp ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 13M ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 17285.869 100 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 -190.598