Dataset for "Phase-Dependent Responsiveness in Soft Porous Crystals Assembled from Flexible Metal–Organic Cages"

Data and input files supporting "Phase-Dependent Responsiveness in Soft Porous Crystals Assembled from Flexible Metal–Organic Cages" by D. He et al. Contains the optimised structure files and associated CP2K input files.本数据集与输入文件为D. He等人发表的题为《由柔性金属有机笼（Metal–Organic Cages）组装的软多孔晶体的相依赖性响应》的研究提供支撑，内含优化后的结构文件及配套的CP2K输入文件。