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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Oct-2023	co_pt8,_top_site,_0_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-717.53103359; eV
	23-Oct-2023	co_pt8,_top_site,_3_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-716.46195900; eV
	23-Oct-2023	co_pt8,_top_site,_1_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only	Geometry optimization	DFT	-	-717.30269769; eV
	23-Oct-2023	co_pt8,_top_site,_2_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-716.97992365; eV
	24-Oct-2023	4oxy,_dir_Ag140_4oxy_4fold_comb2	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-369.09272094; eV
	24-Oct-2023	3oxy,_dir_Ag140_3oxy_4fold_inline	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-363.41503212; eV
	24-Oct-2023	3oxy,_dir_Ag140_3oxy_4fold_close	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-363.52908468; eV
	24-Oct-2023	6oxy,_dir_Ag140_3fold_central_edges	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-379.00532604; eV
	24-Oct-2023	dir_Ag140_3fold_central_edges,_analysis	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Single point	DFT	-	-379.00532546; eV
	24-Oct-2023	2oxy,_dir_Ag140_2oxy_fold	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-357.50350206; eV

Results 231-240 of 252 (Search time: 0.001 seconds).