ASE database

ID Formula distance no_equ_17 Volume no_equ_12 Mass Maximum force
1 Cu54Li 1.865 - 1730.483 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 3438.424 0.009
2 BeCu54 1.012 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 1730.483 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 3440.496 0.010
3 Cu54B 0.409 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 1730.483 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 3442.294 0.005
4 Cu54C 0.260 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 1730.483 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 3443.495 0.010
5 Cu54N 0.399 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 1730.483 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 3445.491 0.005
6 Cu54O 0.772 - 1730.483 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 3447.483 0.008
7 Cu54F 1.238 - 1730.483 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 3450.482 0.006
8 Cu54Ar 3.861 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 1730.483 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 3471.432 0.007