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Preview	Title	Author(s)	Program	Method(s)	Basis Set	Energy	Solv.	Vibr.
	Figure2_Zr_cn_12_ab_bond_4_index_103_relax_-2269_357	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.35666325; eV
	Figure2_Zr_cn_12_ab_bond_5_index_100_relax_-2269_912	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.91180068; eV
	Figure2_Zr_cn_12_ab_bond_6_index_106_relax_-2269_929	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.92913573; eV
	Figure2_Zr_cn_12_ab_bond_7_index_191_relax_-2269_229	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.22878423; eV
	Figure2_Zr_cn_12_ab_bond_8_index_369_relax_-2269_086	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.08623081; eV
	Figure2_Zr_cn_6_ab_bond_0_index_374_relax_-2268_922	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2268.92210780; eV
	Figure2_Zr_cn_6_ab_bond_1_index_126_relax_-2269_317	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.31658314; eV
	Figure2_Zr_cn_7_ab_bond_1_index_125_relax_-2269_578	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.57808495; eV
	Figure2_Zr_cn_7_ab_bond_2_index_130_relax_-2269_335	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.33538836; eV
	Figure2_Zr_cn_8_ab_bond_2_index_319_relax_-2269_015	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.01524612; eV
	Figure2_Zr_cn_8_ab_bond_3_index_248_relax_-2269_335	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.33456638; eV
	Figure2_Zr_cn_8_ab_bond_4_index_132_relax_-2269_331	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.33097090; eV
	Figure2_Zr_cn_9_ab_bond_1_index_129_relax_-2269_012	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.01235466; eV
	Figure2_Zr_cn_9_ab_bond_2_index_124_relax_-2269_023	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	DFT	-	-2269.02322345; eV
	Figure4_Pt304Ni100Zr_relax_-2270_257	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	DFT	-	-2270.25652483; eV
	Figure5_Pt304Ni100Zr_relax_-2269_911	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	DFT	-	-2269.91144832; eV
	Pt304Ni100Zr-2270_2054m150_49	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only	DFT	-	-2270.20535723; eV

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