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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Mar-2022	b110_surf-peroxo-cov_100-pt_ads-xps-o52	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-735.84096643; eV
	3-Mar-2022	c100_surf-peroxo-cov_075-pt_ads-xps-o35	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-536.67088211; eV
	3-Mar-2022	c100_surf-peroxo-cov_075-pt_ads-xps-o34	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-536.67088211; eV
	3-Mar-2022	b110_surf-pris-geo_opt-xps-icorelvl0	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-575.01623679; eV
	3-Mar-2022	b110_surf-pris-pt_ads-xps-o41	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-718.48228427; eV
	6-Feb-2025	/FASnI3_P4bm HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Single point	DFT	-	-270.59107610; eV
	6-Feb-2025	/FASnI3_Amm2 OPT	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-113.15229390; eV
	6-Feb-2025	/FASnI3_Amm2 HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Single point	DFT	-	-135.03750033; eV
	3-Mar-2022	b110_surf-peroxo-cov_100-pt_ads-xps-o41	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-737.36620341; eV
	3-Mar-2022	b110_surf-peroxo-cov_100-pt_ads-xps-o42	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-735.23854612; eV

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