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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Jun-2017	Corner-Pt364_HCl119	Almora, Neyvis	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-2682.35092078; eV
	12-Jun-2017	Pt110_2HCl4Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-235.58553412; eV
	12-Jun-2017	Pt311_3HCl4Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-127.57978053; eV
	12-Jun-2017	Pt100_1HCl4Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-128.75747852; eV
	12-Jun-2017	Pt511_1HCl6Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-178.05661606; eV
	12-Jun-2017	Pt100_2HCl4Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-135.77812958; eV
	20-May-2019	/FePO4 9_EeOC_Ofc-Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1255.70397776; eV
	20-May-2019	/FePO4 8_EeOC_Cl-Cladd_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1253.71774302; eV
	12-Jun-2017	Facet-Pt364_HCl119	Almora, Neyvis	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-2685.97033515; eV
	12-Jun-2017	Pt311_1HCl4Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-117.03657921; eV

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