For each system (water cluster, Li, Na, ...), the LAMMPS MD output files are provided. They consist of:

* out.file   = LAMMPS output file. Notably contains the system energies (4th column) in eV.
* trajectory = LAMMPS MD trajectory file, where:
  ** Atomic positions are in angstroms (A)
  ** Forces are in eV/A
  ** Atomic types:
     1 = H
     2 = O
     3 = cation (Li, Na, ...)