ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_28 ✕ Mass ✕ no_equ_10 ✕ no_equ_1 ✕ no_equ_29 ✕ atom_E ✕ no_equ_6 ✕ no_equ_8 ✕ ads_site ✕ no_equ_26 ✕ Charge ✕ no_equ_11 ✕ no_equ_9 ✕ no_equ_13 ✕ str_E ✕ slab_E ✕ Volume ✕ no_equ_4 ✕ no_equ_17 ✕ plane_index ✕ Magnetic moment ✕ distance ✕ no_equ_14 ✕ no_equ_25 ✕ Energy ✕ Maximum force ✕ no_equ_27 ✕ Username ✕ Maximum stress ✕
1 - 17285.869 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - -0.299 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 f - 0.000 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 -193.113 -190.592 1730.483 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 - 100 0.000 1.865 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 - -193.113 0.009 - hecc 0.009
2 - 17285.869 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - -0.039 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 f - 0.000 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 -193.566 -190.592 1730.483 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 100 -0.000 1.012 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 - -193.566 0.010 - hecc 0.008
3 - 17285.869 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - -0.349 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 f - 0.000 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 -196.413 -190.592 1730.483 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 100 0.000 0.409 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 - -196.413 0.005 - hecc 0.008
4 - 17285.869 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - -1.248 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 f - 0.000 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 -198.094 -190.592 1730.483 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 100 -0.000 0.260 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 - -198.094 0.010 - hecc 0.008
5 - 17285.869 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - -3.124 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 f - 0.000 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 -198.315 -190.592 1730.483 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 100 -0.000 0.399 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 - -198.315 0.005 - hecc 0.007
6 - 17285.869 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - -1.533 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 f - 0.000 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 -197.510 -190.592 1730.483 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 - 100 0.000 0.772 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 - -197.510 0.008 - hecc 0.009
7 - 17285.869 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - -0.424 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 f - 0.000 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 -195.280 -190.592 1730.483 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 - 100 -0.000 1.238 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 - -195.280 0.006 - hecc 0.009
8 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 17285.869 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 -0.025 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 f ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 0.000 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 -190.598 -190.592 1730.483 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 100 -0.000 3.861 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 -190.598 0.007 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 hecc 0.009