ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_13 ✕ str_E ✕ no_equ_31 ✕ no_equ_20 ✕ no_equ_11 ✕ Maximum force ✕ no_equ_29 ✕ no_equ_24 ✕ no_equ_2 ✕ no_equ_15 ✕ no_equ_21 ✕ no_equ_22 ✕ atom_E ✕ no_equ_14 ✕ ads_site ✕ Energy ✕
1 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 -193.113 - - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 0.009 - - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - - -0.299 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 f -193.113
2 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 -193.566 - - ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 0.010 - - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 - - -0.039 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 f -193.566
3 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 -196.413 - - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 0.005 - - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - - -0.349 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 f -196.413
4 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 -198.094 - ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 0.010 - - ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 - -1.248 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 f -198.094
5 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 -198.315 - - ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 0.005 - - ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 - - -3.124 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 f -198.315
6 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 -197.510 - - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 0.008 - - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - - -1.533 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 f -197.510
7 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 -195.280 - - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 0.006 - - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - - -0.424 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 f -195.280
8 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 -190.598 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 0.007 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 -0.025 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 f -190.598