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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Feb-2021	/beef_molsimps/Ru_oct_desorbed_6_/VAC INCAR	Craig, Michael	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Geometry optimization	DFT	-	-337.71105036; eV
	19-Feb-2021	/beef_molsimps/Ru_3a1_9_/VAC/LS INCAR	Craig, Michael	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Geometry optimization	DFT	-	-380.06533006; eV
	19-Feb-2021	/beef_molsimps/Ru_41a_2_/VAC/LS INCAR	Craig, Michael	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Geometry optimization	DFT	-	-396.64783632; eV
	19-Feb-2021	/beef_molsimps/Ru_oct_desorbed_1_/OH/LS INCAR	Craig, Michael	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Geometry optimization	DFT	-	-426.92759891; eV
	19-Feb-2021	/beef_molsimps/Ru_oct_desorbed_2_/OH/LS INCAR	Craig, Michael	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Geometry optimization	DFT	-	-433.05306560; eV
	19-Feb-2021	/beef_molsimps/Ru_oct_desorbed_2_/VAC INCAR	Craig, Michael	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Geometry optimization	DFT	-	-423.02929097; eV
	19-Feb-2021	/beef_molsimps/Ru_oct_desorbed_3_/OOH/LS INCAR	Craig, Michael	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Geometry optimization	DFT	-	-391.70579565; eV
	19-Feb-2021	/beef_molsimps/Ru_oct_desorbed_4_/OH/LS INCAR	Craig, Michael	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Geometry optimization	DFT	-	-439.11421173; eV
	19-Feb-2021	/beef_molsimps/Ru_3a1_5_/VAC/LS INCAR	Craig, Michael	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Geometry optimization	DFT	-	-402.36218775; eV
	19-Feb-2021	/beef_molsimps/Ru_3a1_9_/OOH/LS INCAR	Craig, Michael	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-only	Geometry optimization	DFT	-	-395.63436276; eV

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