Ne-lennard-jones.yaml

version: v1
kind: Potential
spec:
  pair:
    - type: lennard-jones
      cutoff: [10.0]
      parameters:
        - elements: ['Ne', 'Ne']
          # from: https://doi.org/10.1080/00268976.2016.1246760
          # Also provides potentials for Ne, Ar, Kr, Xe
          # units: metal
          # lammps reference: https://lammps.sandia.gov/doc//pair_lj.html
          # epsilon, sigma
          coefficients: [33.921, 2.801]