ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_10 ✕ no_equ_4 ✕ Energy ✕ Maximum stress ✕ no_equ_24 ✕ str_E ✕ no_equ_30 ✕ atom_E ✕ no_equ_11 ✕ no_equ_19 ✕ no_equ_26 ✕ no_equ_2 ✕ distance ✕ no_equ_6 ✕
1 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 -193.113 0.009 - -193.113 - -0.299 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 - - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 1.865 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
2 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 -193.566 0.008 - -193.566 - -0.039 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 - - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 1.012 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
3 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 -196.413 0.008 - -196.413 - -0.349 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 - - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 0.409 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
4 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 -198.094 0.008 - -198.094 - -1.248 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 0.260 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
5 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 -198.315 0.007 - -198.315 - -3.124 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 0.399 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
6 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 -197.510 0.009 - -197.510 - -1.533 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 - - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 0.772 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
7 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 -195.280 0.009 - -195.280 - -0.424 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 1.238 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
8 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 -190.598 0.009 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 -190.598 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 -0.025 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 3.861 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007