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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 pris-2O-surfvac-2ce3_subspol-pos_25_27-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-844.19172601; eV
	4-Aug-2022	/Sampling pris-4O-bulkvac-2ce3-pos_28_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-842.12095547; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_29_31-k3x3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-843.36122060; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3_subspol-pos_22_27-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-844.35784636; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3_subspol-pos_24_27-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-844.38804659; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3_subspol-pos_24_25-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-844.35255628; eV
	4-Aug-2022	/Sampling pris-4O-bulkvac-2ce3-pos_30_32-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-842.49736041; eV
	4-Aug-2022	/Sampling pris-4O-bulkvac-2ce3-pos_32_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-842.50382123; eV
	10-Jul-2022	/solvation sol-off-OD-Cu-254-COCO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1871.76275391; eV
	10-Jul-2022	/solvation sol-on-OD-Cu-254-COH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1852.59386117; eV

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