Energies and other properties. In ULaMDyn, several utility functions have been designed to enable the consistent extraction of various properties from Newton-X simulation output files. For instance, energy information can be retrieved by reading the relevant files and compiling a dataset. Quantum mechanical quantities, such as potential energies and oscillator strengths, are collected from the Newton-X outputs using the GetProperties() class. The properties dataset includes columns for trajectory identifiers and time steps, which are essential for uniquely identifying each data point.