ASE database

Displaying rows 1-8 out of 8
Dipole_val ✕ no_equ_1 ✕ atom_E ✕ no_equ_12 ✕ no_equ_10 ✕ no_equ_19 ✕ no_equ_25 ✕ slab_E ✕ Calculator ✕ no_equ_3 ✕
-2.989 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:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 - - -190.592 vasp ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
-0.069 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:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 - - -190.592 vasp ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
0.558 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:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 - - -190.592 vasp ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
0.431 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:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - -190.592 vasp ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
0.356 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:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - -190.592 vasp ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
0.473 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:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 - - -190.592 vasp ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
0.677 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:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 - - -190.592 vasp ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
-0.049 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 -0.025 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 -190.592 vasp ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139