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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-May-2025	/Ni_F_Ni_1/111_001/2_layer/adsorption/CH3CH2CHCO freq	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Frequencies	DFT	-	-480.42105544; eV
	14-May-2025	/Ni_F_Ni_1/111_001/2_layer/adsorption/CH3CH2O freq	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Frequencies	DFT	-	-458.62611804; eV
	2-Jul-2025	/Defects_222/sni2/Snin2__1 Snin2__1	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4217.57566693; eV
	2-Jul-2025	/Defects_222/sni2/Snin2__2 Snin2__2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4214.17199575; eV
	2-Jul-2025	/Defects_222/Ii2/Ii2__2 Ii2__2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4215.53337016; eV
	16-Jan-2026	/FG_dataset/oximes/au/111 au-13Y1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-184.39008389; eV
	2-Jul-2025	/Defects_222/vI2/V_I2_+2 V_I2_+2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4210.35579183; eV
	2-Jul-2025	/Defects_222/vI2/V_I2__2 V_I2__2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4212.90994711; eV
	2-Jul-2025	/Defects_222/vI2/V_I2__1 V_I2__1	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-4212.84325693; eV
	17-Jul-2025	/slab_pt13/flat/4x4_slab/ads_1/new_fix_model/ori/sampling/1ce3/sec/ce3_16/chgs chgs	Li, Lulu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-1580.85844575; eV

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