This is a single step experiment around the Large-scale Atomic/Molecular Massively Parallel Simulator.
LAMMPS is a classical molecular dynamics code with a focus on materials modeling. It's an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.
From: https://www.lammps.org
You can find some example input files in https://github.com/lammps/lammps/tree/patch_15Jun2023/examples
Follow the stp documentation to first login and then push your experiment into your ST4SD Cloud instance using the package.json file.