ASE database

Displaying rows 1-8 out of 8
Dipole_val ✕ no_equ_1 ✕ atom_E ✕ no_equ_12 ✕ no_equ_10 ✕
-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
-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
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
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
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
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
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
-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