ASE database

Displaying rows 26-8 out of 8

↓ ID ✕	Formula ✕	Charge ✕	Maximum force ✕	Dipole_val ✕	Calculator ✕	slab_E ✕	PBC ✕	plane_index ✕
26	Au₅₄O	0.000	0.008	1.316	vasp	-165.064	TTT	100
27	Au₅₄F	0.000	0.007	1.353	vasp	-165.064	TTT	100
28	Au₅₄Ne	0.000	0.009	-0.015	vasp	-165.064	TTT	100
29	Au₅₄Na	0.000	0.007	-5.551	vasp	-165.064	TTT	100
30	Au₅₄Mg	0.000	0.010	-3.232	vasp	-165.064	TTT	100
31	AlAu₅₄	0.000	0.010	-1.327	vasp	-165.064	TTT	100
32	Au₅₄Si	0.000	0.004	-0.547	vasp	-165.064	TTT	100
33	Au₅₄P	0.000	0.009	0.123	vasp	-165.064	TTT	100
34	Au₅₄S	0.000	0.005	0.877	vasp	-165.064	TTT	100
35	Au₅₄Cl	0.000	0.005	0.954	vasp	-165.064	TTT	100
36	Au₅₄Ar	0.000	0.008	-0.099	vasp	-165.064	TTT	100
37	Au₅₄H	0.000	0.009	0.155	vasp	-165.064	TTT	100
38	Au₅₄He	0.000	0.008	-0.015	vasp	-165.064	TTT	100
39	Au₅₄Li	0.000	0.005	-5.047	vasp	-165.064	TTT	100
40	Au₅₄Be	0.000	0.007	-1.560	vasp	-165.064	TTT	100
41	Au₅₄B	0.000	0.007	0.021	vasp	-165.064	TTT	100
42	Au₅₄C	0.000	0.010	0.691	vasp	-165.064	TTT	100
43	Au₅₄N	0.000	0.005	1.558	vasp	-165.064	TTT	100
44	Au₅₄O	0.000	0.009	2.393	vasp	-165.064	TTT	100
45	Au₅₄F	0.000	0.008	2.726	vasp	-165.064	TTT	100
46	Au₅₄Ne	0.000	0.007	-0.019	vasp	-165.064	TTT	100
47	Au₅₄Na	0.000	0.008	-6.299	vasp	-165.064	TTT	100
48	Au₅₄Mg	0.000	0.010	-3.297	vasp	-165.064	TTT	100
49	AlAu₅₄	0.000	0.008	-2.036	vasp	-165.064	TTT	100
50	Au₅₄Si	0.000	0.007	-1.163	vasp	-165.064	TTT	100