ASE database

Displaying rows 1-8 out of 8
no_equ_12 ✕ str_E ✕ no_equ_31 ✕ no_equ_27 ✕ no_equ_14 ✕ no_equ_19 ✕ no_equ_1 ✕ no_equ_4 ✕ no_equ_6 ✕ Charge ✕ no_equ_30 ✕ PBC ✕ Calculator ✕ no_equ_3 ✕ no_equ_18 ✕ no_equ_22 ✕ no_equ_10 ✕
ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 -193.113 - - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 0.000 - TTT vasp ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 - - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 -193.566 - - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 0.000 - TTT vasp ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 -196.413 - - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 0.000 - TTT vasp ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 - - ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 -198.094 - - ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 0.000 - TTT vasp ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 -198.315 - - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 0.000 - TTT vasp ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 -197.510 - - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 0.000 - TTT vasp ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 - - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 -195.280 - - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 0.000 - TTT vasp ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 - - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 -190.598 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 0.000 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 TTT vasp ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014