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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_28_29_31-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.16631815; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_30_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-846.98486192; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_29_33_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-846.79191135; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_29_30_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.19295690; eV
	4-Sep-2023	pbe1pbeSP_TSH1-2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	6-311+G(D,P) SDD GENECP	-1139.0251056; Eh
	2-Dec-2022	/EPR-structures m-ZrO₂-1vac-EPR-silent-HSE03	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Single point	DFT	-	-483.72240149; eV
	2-Dec-2022	/EPR-structures m-ZrO₂-1vac-EPR-active-HSE03	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Single point	DFT	-	-483.81829170; eV
	2-Dec-2022	/EPR-structures m-ZrO₂-1vac-EPR-active-PBE	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-437.40312791; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_30_32_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-846.77905621; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_28_34_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.03403565; eV

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