ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_22 ✕ Dipole_val ✕ atom_E ✕ no_equ_25 ✕ no_equ_4 ✕ no_equ_10 ✕ Maximum stress ✕ str_E ✕ no_equ_24 ✕ Energy ✕ no_equ_18 ✕ no_equ_31 ✕ no_equ_5 ✕ Charge ✕
1 - -2.989 -0.299 - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 0.009 -193.113 - -193.113 - - ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 0.000
2 - -0.069 -0.039 - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 0.008 -193.566 - -193.566 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 0.000
3 - 0.558 -0.349 - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 0.008 -196.413 - -196.413 - - ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 0.000
4 - 0.431 -1.248 - ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 0.008 -198.094 - -198.094 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 0.000
5 - 0.356 -3.124 - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 0.007 -198.315 - -198.315 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 0.000
6 - 0.473 -1.533 - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 0.009 -197.510 - -197.510 - - ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 0.000
7 - 0.677 -0.424 - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 0.009 -195.280 - -195.280 - - ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 0.000
8 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 -0.049 -0.025 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 0.009 -190.598 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 -190.598 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 0.000