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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/100_b 100_b	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-684.48156852; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/101 101	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-729.10991944; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/110 110	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-730.55432020; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/111 111	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-712.73151290; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/100 100	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-683.29782220; eV
	25-Sep-2025	/HFIP_mechanism ²R1a	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	DEF2SVP	-567.459661586; Eh
	2-Jul-2025	/Bulk_structure/CuWO4_3/bulk/mag_conv/config_2 config_2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-733.33711314; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/bulk/mag_conv/config_1 config_1	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-733.33713379; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/bulk/scan/test test	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-20053.55720412; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/110_b 110_b	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-726.04391355; eV

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