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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	/Bulk_Calculations/Lattice_Optimisation 0_9	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-9.99958991; eV
	25-Feb-2021	/Bulk_Calculations/Lattice_Optimisation 1_05	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-13.70908223; eV
	25-Feb-2021	/Bulk_Calculations Opt_Structure	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-14.04560197; eV
	10-Sep-2019	1_ads-b-6	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-291.31363837; eV
	25-Feb-2021	/Ref_Structures NH3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-20.65758541; eV
	25-Feb-2021	/Bulk_Calculations/K_Point_Optimisation 3x3x3	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-14.21619876; eV
	25-Feb-2021	/Bulk_Calculations/K_Point_Optimisation 13x13x13	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-14.03721575; eV
	25-Feb-2021	/Bulk_Calculations/Lattice_Optimisation 0_95	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-13.11280345; eV
	10-Sep-2019	1_ads-b-5	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complex	Geometry optimization	DFT	-	-291.56847960; eV
	25-Feb-2021	/Bulk_Calculations/K_Point_Optimisation 5x5x5	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-14.07762890; eV

Results 321-330 of 2587 (Search time: 0.001 seconds).