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Title	Author(s)	Program	Method(s)	Basis Set	Energy
/011_vacancies s1	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1038.72916564; eV
/011_vacancies s2	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1038.49724059; eV
/011_vacancies doubly-split_s2	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1038.13596846; eV
/011_vacancies 2	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1038.08784720; eV
/011_vacancies 4	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1037.93781860; eV
/011_vacancies 6	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1037.71584649; eV
/011_vacancies 9	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1037.88257214; eV
/011_vacancies 10	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1037.73425688; eV
/011_vacancies 11	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1037.79255967; eV
/water_oxidation_intermediates/001/pristine start	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1109.09431417; eV
/water_oxidation_intermediates/001/pristine 1	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1103.10837641; eV
/water_oxidation_intermediates/001/pristine 2a	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1098.68685662; eV
/water_oxidation_intermediates/001/pristine 4a	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1106.89119767; eV
/water_oxidation_intermediates/001/split start	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1101.11773821; eV
/water_oxidation_intermediates/001/split 1	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1097.07166913; eV
/water_oxidation_intermediates/001/split 2b	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1092.10978632; eV
/water_oxidation_intermediates/001/split 4b	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	DFT	-	-1101.23277913; eV
/water_oxidation_intermediates/001/hydrated start	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1101.28743306; eV
/water_oxidation_intermediates/001/hydrated -1	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1097.81382786; eV
/water_oxidation_intermediates/001/hydrated pristine	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1109.09431417; eV
/water_oxidation_intermediates/001/hydrated 1	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1103.10837640; eV
/water_oxidation_intermediates/011/pristine start	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1103.45841518; eV
/water_oxidation_intermediates/011/pristine 1	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1098.02194590; eV
/water_oxidation_intermediates/011/pristine 2b	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1092.62951842; eV
/water_oxidation_intermediates/011/pristine 4b	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	DFT	-	-1102.63696161; eV