{
  "title" "Cohesive energy and equilibrium lattice constant of hexagonal 2D crystalline layers"
  "extended-id" "LatticeConstant2DHexagonalEnergy__TD_034540307932_000"
  "simulator-name" "LAMMPS"
  "properties" [
    "tag:staff@noreply.openkim.org,2015-05-26:property/cohesive-potential-energy-2d-hexagonal-crystal"
    "tag:staff@noreply.openkim.org,2015-05-26:property/structure-2d-hexagonal-crystal-npt"
  ]
  "creator" "Ilia Nikiforov"
  "description" "This Test Driver computes the equilibrium lattice spacing and cohesive energy of a 2D hexagonal monolayer crystal using Polak-Ribiere conjugate gradient minimization in LAMMPS. Through pipeline.stdin.tpl, the user supplies the choice of structure type, an initial guess at the equilibrium lattice spacing and the two atomic species comprising the crystal."
  "contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311"
  "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311"
  "publication-year" "2016"
  "kim-api-version" "1.9.0"
  "executables" [
    "runner"
  ]
  "domain" "openkim.org"
}