ASE database

Displaying rows 1-8 out of 8
Age ✕ no_equ_27 ✕ no_equ_18 ✕ no_equ_6 ✕ no_equ_30 ✕ no_equ_4 ✕ no_equ_23 ✕ no_equ_3 ✕ Calculator ✕ Maximum force ✕ Magnetic moment ✕ no_equ_19 ✕
13M - - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 vasp 0.009 0.000 -
13M - ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 vasp 0.010 -0.000 -
13M - - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 vasp 0.005 0.000 -
13M - ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 - ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 - ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 vasp 0.010 -0.000 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837
13M - ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 vasp 0.005 -0.000 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002
13M - - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 vasp 0.008 0.000 -
13M - - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 vasp 0.006 -0.000 -
13M ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 vasp 0.007 -0.000 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005