Data for TBMaLT Tutorial

This file contains the data used for tutorial of Tight Binding Machine Learning Toolkit (TBMaLT). The molecule geometries as well as the silicon geometries in the various training and test sets and the results of the corresponding DFT reference calculations are available. Besides, siband-1-1 Slater-Koster parameter set used by TBMaLT is included. Also, a collection of parameter sets for each interaction ('H', 'C', 'N', 'O') computed with varying compression radii is stored.