Data and Code for: Analysis of Magnetocrystalline Anisotropy from Atom Pair Statistics in Tetragonally Strained Fe-Based Alloys: A First-Principles and Machine Learning Study

Data and Code for: Analysis of Magnetocrystalline Anisotropy from Atom Pair Statistics in Tetragonally Strained Fe-Based Alloys: A First-Principles and Machine Learning Study All processed datasets and code used to generate the figures and analysis in this work will be made publicly available in an online repository upon acceptance. Due to the large file size of the VASP (first-principles calculation) raw outputs, these files are not deposited directly but can be provided by the corresponding author upon reasonable request.配套数据与代码：基于四方应变铁基合金（Tetragonally Strained Fe-Based Alloys）中原子对统计（Atom Pair Statistics）的磁晶各向异性（Magnetocrystalline Anisotropy）分析——第一性原理（First-Principles）与机器学习（Machine Learning）研究 本研究中用于生成图表与开展分析的全部已处理数据集及代码，将在论文被录用后于在线存储库中公开。鉴于VASP（第一性原理计算）原始输出文件体积较大，未直接存档上传，但可应合理请求由通讯作者提供。