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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Dec-2016	/Al6Cr6_models/Cr0_2_4 Cr_0_2_4	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.32651486; Eh
12-Dec-2016	/Al6Cr6_models/Cr1_1_4 Cr1_1_4	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.32353328; Eh
12-Dec-2016	/Al6Cr6_models/Cr2_3_1 Cr2_3_1c	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33726434; Eh
12-Dec-2016	/Al6Cr6_models/Cr2_3_1 Cr2_3_1a	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33753091; Eh
12-Dec-2016	/Al6Cr6_models/Cr2_3_1 Cr2_3_1b	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33755011; Eh
12-Dec-2016	/Al6Cr6_models/Cr3_2_1 Cr3_2_1	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33824358; Eh
12-Dec-2016	/Al6Cr6_models/Cr3_2_1 Cr3_2_1f	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33841881; Eh
12-Dec-2016	/Al6Cr6_models/Cr3_2_1 Cr3_2_1d	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33799241; Eh
12-Dec-2016	/Al6Cr6_models/Cr3_2_1 Cr3_2_1e	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33862339; Eh
12-Dec-2016	/Al6Cr6_models/Cr3_1_2 Cr3_1_2	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33497243; Eh

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