Bispectrum degenerate B8 data

Dataset of 4000 pairs of bispectrum degenerate boron (B8) structures, along with scripts to generate the atom-centered (nu=7) and three-centered features that are complete. Also contains scripts to reconstruct the nu=7 single-centered features from the three center features using an encoder-decoder architecture, and to model the structural energies using these features

本数据集收录4000组双谱简并硼（B8）结构样本对，附带可生成完备的原子中心（nu=7）与三中心特征的脚本。此外还包含两类脚本：一类可通过编码器-解码器架构从三中心特征重构nu=7单中心特征，另一类可基于上述特征对结构能量开展建模。