ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	plane_index ✕	Maximum force ✕	no_equ_21 ✕	no_equ_23 ✕	Charge ✕	no_equ_16 ✕	Username ✕	Maximum stress ✕	Calculator ✕	no_equ_22 ✕	Number of atoms ✕
1	Cu₅₄Li	100	0.009	-	-	0.000	ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058	hecc	0.009	vasp	-	55
2	BeCu₅₄	100	0.010	-	-	0.000	ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696	hecc	0.008	vasp	-	55
3	Cu₅₄B	100	0.005	-	-	0.000	ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007	hecc	0.008	vasp	-	55
4	Cu₅₄C	100	0.010	ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928	-	0.000	ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513	hecc	0.008	vasp	-	55
5	Cu₅₄N	100	0.005	-	-	0.000	ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007	hecc	0.007	vasp	-	55
6	Cu₅₄O	100	0.008	-	-	0.000	ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168	hecc	0.009	vasp	-	55
7	Cu₅₄F	100	0.006	-	-	0.000	-	hecc	0.009	vasp	-	55
8	Cu₅₄Ar	100	0.007	ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005	ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005	0.000	ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006	hecc	0.009	vasp	ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005	55