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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_id1_001_relax_-753_202	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-753.20153543; eV
	27-Dec-2023	FigureA1_nano_id176_057_relax_-759_108	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-759.10776137; eV
	27-Dec-2023	FigureA1_nano_id178_060_relax_-757_811	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-757.81133864; eV
	27-Dec-2023	FigureA1_nano_id115_071_relax_-761_416	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-761.41591000; eV
	27-Dec-2023	Figure4_Pt305Ni100_relax_-2263_585	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-2263.58493547; eV
	27-Dec-2023	Figure4_Pt405_relax_-2265_23	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2265.22988277; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn12_pt-bond5_ni-bond6_zr-bond1_relax_-227	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2274.83210718; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn12_pt-bond5_ni-bond7_zr-bond0_relax_-227	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2274.90418700; eV
	27-Dec-2023	Figure2_Zr_cn_12_ab_bond_4_index_103_relax_-2269_357	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2269.35666325; eV
	27-Dec-2023	Figure2_Zr_cn_12_ab_bond_5_index_100_relax_-2269_912	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2269.91180068; eV

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