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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-May-2019	/FePO4 6_EeOC_Cl_H-Clstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1248.47654672; 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_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1254.18951011; eV
	20-May-2019	/FePO4 9_EeOC_Ofc-Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1252.73282597; eV
	20-May-2019	/FePO4 5_EaOC_Cl_H-Clstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1254.87941950; eV
	20-May-2019	/FePO4 5_EaOC_Cl_H-Clstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1255.77079799; eV
	20-May-2019	/FePO4 7_EeOC_Cl-Hstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1253.21445629; 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
	20-May-2019	/FePO4 5_EaOC_Cl_H-Clstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1254.25428312; eV
	20-May-2019	/FePO4 1_EaOC_Cl_Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1261.81406650; eV

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