{ "title" "Potential energy and atomic forces of periodic, non-orthogonal cell of atoms" "extended-id" "TriclinicPBCEnergyAndForces__TD_892847239811_001" "simulator-name" "LAMMPS" "properties" [ "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" ] "creator" "Daniel Karls" "description" "Given an extended xyz file corresponding to a non-orthogonal periodic box of\natoms, create a LAMMPS file with the given positions/species and compute the\ntotal potential energy and atomic forces." "disclaimer" "See Test Driver source for formatting instructions for extended xyz file." "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "publication-year" "2014" "kim-api-version" "1.9.0" "pipeline-api-version" "1.0" "executables" [ "runner" "test_template/template_" ] "domain" "openkim.org" }