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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Dec-2023	Pt305Ni100mu3Osp-2268_7514m152_71	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2268.75136325; eV
	27-Dec-2023	Pt305Ni100-2263_5277m153_33	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2263.52769124; eV
	27-Dec-2023	Pt305Ni100OH-2273_3315m152_78	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only	Geometry optimization	DFT	-	-2273.33145597; eV
	27-Dec-2023	FigureA1_nano_id94_020_relax_-759_62	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-759.61958761; eV
	27-Dec-2023	FigureA1_nano_id154_041_relax_-746_424	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-746.42407436; eV
	27-Dec-2023	FigureA1_nano_id161_011_relax_-749_772	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-749.77177953; eV
	27-Dec-2023	FigureA1_nano_id160_037_relax_-750_774	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-750.77420644; eV
	27-Dec-2023	FigureA1_nano_id166_026_relax_-747_366	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-747.36597758; 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	Pt304Ni100ZrOH-2279_7475m150_88	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only	Geometry optimization	DFT	-	-2279.74749991; eV

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