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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_id150_048_relax_-746_467	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-746.46717312; eV
	27-Dec-2023	FigureA1_nano_id151_015_relax_-750_555	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-750.55506288; eV
	27-Dec-2023	FigureA1_nano_id92_054_relax_-760_323	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-760.32321295; eV
	27-Dec-2023	FigureA1_nano_id182_058_relax_-759_299	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-759.29905370; eV
	27-Dec-2023	Figure5_Pt303Ni100Zr_relax_-2262_424	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2262.42407006; eV
	27-Dec-2023	Figure5_Pt304Ni100Zr_relax_-2269_911	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2269.91144832; eV
	27-Dec-2023	Figure4_Pt304Ni100Zr_relax_-2270_257	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2270.25652483; eV
	27-Dec-2023	Figure4_Pt303Ni100Zr1X1_relax_-2262_607	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-2262.60656820; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn12_pt-bond6_ni-bond5_zr-bond1_relax_-227	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2275.06295353; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn12_pt-bond6_ni-bond6_zr-bond0_relax_-227	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2275.75566353; eV

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