ASE database

Formula no_equ_2 no_equ_9 Maximum force no_equ_25 Magnetic moment no_equ_19 no_equ_20 Volume no_equ_26
Cu54Li ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 0.009 - 0.000 - - 1730.483 -
BeCu54 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 0.010 - -0.000 - - 1730.483 -
Cu54B ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 0.005 - 0.000 - - 1730.483 -
Cu54C ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 0.010 - -0.000 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 1730.483 -
Cu54N ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 0.005 - -0.000 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - 1730.483 -
Cu54O ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 0.008 - 0.000 - - 1730.483 -
Cu54F ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 0.006 - -0.000 - - 1730.483 -
Cu54Ar ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 0.007 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 -0.000 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 1730.483 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005