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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Dec-2023	Figure4_Pt304Ni100X1_relax_-2256_205	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-2256.20535200; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn12_pt-bond7_ni-bond5_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	-	-2275.88647722; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn12_pt-bond8_ni-bond4_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	-	-2275.16407947; eV
	27-Dec-2023	Figure2_Zr_cn_12_ab_bond_8_index_369_relax_-2269_086	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2269.08623081; eV
	27-Dec-2023	Figure2_Zr_cn_12_ab_bond_7_index_191_relax_-2269_229	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2269.22878423; 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_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_id172_029_relax_-747_714	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-747.71373047; eV
	27-Dec-2023	FigureA1_nano_id173_038_relax_-746_567	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-746.56729563; eV
	27-Dec-2023	FigureA1_nano_id174_030_relax_-746_376	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-746.37581080; eV

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