ASE database

Displaying rows 1-25 out of 594
no_equ_17 ✕ no_equ_4 ✕ Energy ✕ Magnetic moment ✕ no_equ_23 ✕ Maximum stress ✕
- ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 -193.113 0.000 - 0.009
ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 -193.566 -0.000 - 0.008
ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 -196.413 0.000 - 0.008
ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 -198.094 -0.000 - 0.008
ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 -198.315 -0.000 - 0.007
- ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 -197.510 0.000 - 0.009
- ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 -195.280 -0.000 - 0.009
ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 -190.598 -0.000 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 0.009