{ "title" "Conjugate gradient relaxation of atomic cluster" "extended-id" "ClusterEnergyAndForces__TD_000043093022_001" "simulator-name" "LAMMPS" "properties" [ "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" ] "creator" "Daniel Karls" "description" "Given an xyz file corresponding to a finite cluster of atoms, create a LAMMPS\nfile with the given positions/species and compute the total potential energy\nand atomic forces." "disclaimer" "See test driver source for xyz format requirements." "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "publication-year" "2016" "kim-api-version" "1.9.0" "pipeline-api-version" "1.0" "executables" [ "runner" "test_template/template_" ] "domain" "openkim.org" }