ASE database

Displaying rows 1-8 out of 8
distance ✕ no_equ_23 ✕ no_equ_18 ✕ Age ✕ no_equ_1 ✕ no_equ_25 ✕ no_equ_27 ✕ atom_E ✕ no_equ_12 ✕ no_equ_28 ✕ no_equ_30 ✕ no_equ_14 ✕ Magnetic moment ✕ ads_site ✕ no_equ_6 ✕ no_equ_15 ✕ Maximum stress ✕ no_equ_19 ✕ no_equ_17 ✕ no_equ_10 ✕ Calculator ✕ no_equ_11 ✕
1.865 - - 13M ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - - -0.299 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 - - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 0.000 f ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 0.009 - - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 vasp ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
1.012 - ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 13M ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - - -0.039 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 - - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 -0.000 f ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 0.008 - ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 vasp ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
0.409 - - 13M ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - - -0.349 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 - - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 0.000 f ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 0.008 - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 vasp ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
0.260 - ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 13M ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - - -1.248 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 - - ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 -0.000 f ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 0.008 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 vasp ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
0.399 - ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 13M ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - - -3.124 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 - - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 -0.000 f ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 0.007 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 vasp ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
0.772 - - 13M ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - - -1.533 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 - - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 0.000 f ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 0.009 - - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 vasp ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
1.238 - - 13M ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - - -0.424 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 - - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 -0.000 f ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 0.009 - - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 vasp ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
3.861 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 13M ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 -0.025 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 -0.000 f ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 0.009 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 vasp ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012