Processed Diatom and Cohesive Energy Benchmark Data for the Co-Cr-Fe-Mn-Ni-Al Morse Interatomic Potential
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This dataset provides processed validation data (Diatom Energy and Cohesive Energy curves) for the Co-Cr-Fe-Mn-Ni-Al Morse potential. Data Processing:The original raw data were computed by the NIST Interatomic Potentials Repository. The authors have extracted these data, verified them, and converted them into structured CSV and Excel (.xlsx) formats to facilitate plotting and further analysis. Contents: Diatom Energy: Pair interaction profiles. Cohesive Energy: Energy vs. Distance curves for pure elements and alloy structures.
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Zenodo创建时间:
2025-12-07



