{ "description" "Given an extended xyz file corresponding to a non-orthogonal periodic box of atoms, create a LAMMPS file with the given positions/species and compute the total potential energy and atomic forces." "disclaimer" "See Test Driver source for formatting instructions for extended xyz file." "domain" "openkim.org" "executables" [ "runner" "test_template/template_" ] "extended-id" "TriclinicPBCEnergyAndForces__TD_892847239811_000" "kim-api-version" "1.5" "title" "Potential energy and atomic forces of periodic, non-orthogonal cell of atoms" "pipeline-api-version" "1.0" "properties" ["tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed"] "creator" "Daniel Karls" "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "publication-year" "2014" }