log- and xyz-files for the TS-tools project

Every directory corresponds to an individual application discussed in the paper (xxx). Individual reactions each correspond to a sub-directory, and the latter contains .log and .xyz files for the corresponding TS guess. In the case of full xTB/DFT TS searches, the subdirectories also contain the geometry of the begin- and end-points of the reaction path search, i.e., reactants_geometry.xyz and products_geometry.xyz.