ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Maximum force ✕	Maximum stress ✕	no_equ_31 ✕	no_equ_7 ✕	distance ✕	Number of atoms ✕	atom_E ✕
1	Cu₅₄Li	0.009	0.009	-	ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290	1.865	55	-0.299
2	BeCu₅₄	0.010	0.008	-	ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799	1.012	55	-0.039
3	Cu₅₄B	0.005	0.008	-	ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794	0.409	55	-0.349
4	Cu₅₄C	0.010	0.008	-	ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061	0.260	55	-1.248
5	Cu₅₄N	0.005	0.007	-	ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705	0.399	55	-3.124
6	Cu₅₄O	0.008	0.009	-	ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941	0.772	55	-1.533
7	Cu₅₄F	0.006	0.009	-	ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138	1.238	55	-0.424
8	Cu₅₄Ar	0.007	0.009	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015	3.861	55	-0.025