ASE database

Displaying rows 1-25 out of 2180
no_equ_28 ✕ slab_E ✕ Magnetic moment ✕ no_equ_15 ✕ no_equ_27 ✕ Charge ✕ no_equ_17 ✕ no_equ_10 ✕ Maximum force ✕ no_equ_9 ✕ no_equ_14 ✕ no_equ_16 ✕ no_equ_23 ✕ no_equ_20 ✕ ads_site ✕ Volume ✕ no_equ_24 ✕ ads_E ✕ Calculator ✕ no_equ_12 ✕ no_equ_25 ✕
- -190.592 0.000 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - 0.000 - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 0.009 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 - - f 1730.483 - -2.222 vasp ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 -
- -190.592 -0.000 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 - 0.000 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 0.010 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 - - f 1730.483 - -2.934 vasp ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 -
- -190.592 0.000 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - 0.000 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 0.005 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 - - f 1730.483 - -5.472 vasp ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 -
- -190.592 -0.000 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 - 0.000 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 0.010 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 - ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 f 1730.483 - -6.254 vasp ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 -
- -190.592 -0.000 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 - 0.000 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 0.005 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 - - f 1730.483 - -4.599 vasp ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 -
- -190.592 0.000 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - 0.000 - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 0.008 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 - - f 1730.483 - -5.385 vasp ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 -
- -190.592 -0.000 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - 0.000 - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 0.006 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 - - - f 1730.483 - -4.264 vasp ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 -
ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 -190.592 -0.000 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 0.000 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 0.007 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 f 1730.483 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 0.020 vasp ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005