CalculateMeanKineticEnergyN2VsTime-ReactedMolecules.py is the script employed to extract the mean kinetic energy of the N2 molecule and of the various W layers as a function of time for the various initial kinetic energies and functionals (ReadTrajectoryVASP.py is a module for reading VASP output files).
Files like EnergyN2VsTime-XXXeV.dat are the corresponding output files. The first set of data included in these files is the mean kinetic energy (column 2) VS time (column 1) for the molecules dissociating with no rebounds on the surface. Below, the mean kinetic energy of the molecule (column 2), of the atoms of the first layer (column 3), of the second layer (column 4), as so on are reported as a function of time (column 1) for the molecules dissociating at time t>=800 fs.