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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Dec-2023	FigureA1_nano_id11_079_relax_-754_885	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-754.88505066; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn7_pt-bond6_ni-bond1_zr-bond0_relax_-2275	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2275.28796149; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn7_pt-bond5_ni-bond2_zr-bond0_relax_-2275	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2275.00594161; eV
	27-Dec-2023	Figure2_Zr_cn_7_ab_bond_2_index_130_relax_-2269_335	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2269.33538836; eV
	27-Dec-2023	Figure2_Zr_cn_8_ab_bond_2_index_319_relax_-2269_015	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2269.01524612; eV
	27-Dec-2023	Pt304Ni100Zrmu3Osp-2275_2960m150_10	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only	Geometry optimization	DFT	-	-2275.29598091; eV
	27-Dec-2023	Pt304Ni100Zr-2270_2054m150_49	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only	Geometry optimization	DFT	-	-2270.20535723; eV
	27-Dec-2023	FigureA1_nano_id179_005_relax_-773_223	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-773.22325701; eV
	27-Dec-2023	FigureA1_nano_id180_019_relax_-771_395	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-771.39535142; eV
	27-Dec-2023	FigureA1_nano_id162_033_relax_-749_056	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-749.05555501; eV

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