ASE database

ID Formula no_equ_25 no_equ_4 no_equ_26 Username str_E Age Volume no_equ_28 no_equ_29 no_equ_15
1 Cu54Li - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 - hecc -193.113 13M 1730.483 - - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066
2 BeCu54 - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 - hecc -193.566 13M 1730.483 - - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774
3 Cu54B - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 - hecc -196.413 13M 1730.483 - - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180
4 Cu54C - ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 - hecc -198.094 13M 1730.483 - - ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345
5 Cu54N - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 - hecc -198.315 13M 1730.483 - - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016
6 Cu54O - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 - hecc -197.510 13M 1730.483 - - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174
7 Cu54F - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 - hecc -195.280 13M 1730.483 - - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666
8 Cu54Ar 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:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 hecc -190.598 13M 1730.483 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007