ASE database

Displaying rows 1-18 out of 18

Formula ✕	Number of atoms ✕	Maximum force ✕	no_equ_21 ✕	no_equ_13 ✕	Mass ✕	no_equ_9 ✕
Cu₅₄Li	55	0.009	-	ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126	3438.424	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
BeCu₅₄	55	0.010	-	ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465	3440.496	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
Cu₅₄B	55	0.005	-	ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236	3442.294	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
Cu₅₄C	55	0.010	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928	ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632	3443.495	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
Cu₅₄N	55	0.005	-	ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042	3445.491	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
Cu₅₄O	55	0.008	-	ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321	3447.483	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
Cu₅₄F	55	0.006	-	ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801	3450.482	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
Cu₅₄Ar	55	0.007	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005	ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009	3471.432	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016