soap and atomic features

Data set in a compressed pickle file. Once loaded, you will have a dataframe with shape (5352, 25). The data set includes chemical formula, mp-id, Smooth Overlap of Atomic Position (SOAP), and atomic information from periodic table (electronegativity, atomic radius, etc.).本数据集存储于压缩后的pickle文件中。加载完成后，将得到一个形状为(5352, 25)的数据帧。该数据集包含化学式、mp-id、原子位置平滑重叠（Smooth Overlap of Atomic Position，SOAP），以及来自元素周期表的原子信息（如电负性、原子半径等）。