{ "title" "LammpsExample: cohesive energy and equilibrium lattice constant of fcc Argon" "extended-id" "LammpsExample__TE_565333229701_003" "test-driver" "LammpsExample__TD_567444853524_003" "species" [ "Ar" ] "creator" "Daniel Karls" "description" "This example Test illustrates the use of LAMMPS in the Openkim Pipeline to compute\nthe cohesive energy of fcc Argon using conjugate gradient minimization with an initial\nguess of 5.3 Angstroms for the equilibrium lattice constant. The fractional coordinates\nof the atoms are held fixed during the minimization." "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "publication-year" "2015" "kim-api-version" "1.9.0" "pipeline-api-version" "1.0" "executables" [ "runner" ] "domain" "openkim.org" }