Supporting data for paper: Finite-Temperature Thermodynamics of Cu(100) Oxidation: Missing-Row Reconstruction, Defect States, and Order-Disorder Transition from Nested Sampling
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Simulation data of the paper: "Finite-Temperature Thermodynamics of Cu(100) Oxidation: Missing-Row Reconstruction, Defect States, and Order-Disorder Transition from Nested Sampling" MACE-model, training, test, validation set, and a yaml file with training settings Raw nested sampling data Cu(100) 3/4 ML Cu (4 runs) Cu(100) 3/4 ML Cu 1/2 ML O (4 runs) Readme file with instructions
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Zenodo创建时间：
2026-08-13
