ASE database

Displaying rows 1-8 out of 8
distance ✕ no_equ_9 ✕ no_equ_16 ✕ slab_E ✕ plane_index ✕ no_equ_26 ✕ no_equ_8 ✕ Dipole_val ✕ atom_E ✕ no_equ_6 ✕ no_equ_31 ✕ no_equ_24 ✕ Energy ✕ Username ✕ Calculator ✕ no_equ_28 ✕ no_equ_1 ✕
1.865 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -190.592 100 - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 -2.989 -0.299 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 - - -193.113 hecc vasp - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
1.012 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -190.592 100 - ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 -0.069 -0.039 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 - - -193.566 hecc vasp - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
0.409 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -190.592 100 - ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 0.558 -0.349 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 - - -196.413 hecc vasp - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
0.260 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -190.592 100 - ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 0.431 -1.248 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 - - -198.094 hecc vasp - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
0.399 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -190.592 100 - ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 0.356 -3.124 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 - - -198.315 hecc vasp - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
0.772 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -190.592 100 - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 0.473 -1.533 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 - - -197.510 hecc vasp - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
1.238 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 - -190.592 100 - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 0.677 -0.424 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 - - -195.280 hecc vasp - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
3.861 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -190.592 100 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 -0.049 -0.025 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 -190.598 hecc vasp ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500