ASE database

ID Formula no_equ_19 no_equ_27 no_equ_17 str_E Magnetic moment no_equ_4
1 Cu54Li - - - -193.113 0.000 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
2 BeCu54 - - ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 -193.566 -0.000 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
3 Cu54B - - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 -196.413 0.000 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
4 Cu54C ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 -198.094 -0.000 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
5 Cu54N ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 -198.315 -0.000 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
6 Cu54O - - - -197.510 0.000 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
7 Cu54F - - - -195.280 -0.000 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
8 Cu54Ar ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 -190.598 -0.000 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057