{ "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "description" "This example Test Driver illustrates the use of LAMMPS to compute the equilibrium lattice spacing and cohesive energy of fcc argon using Polak-Ribiere conjugate gradient minimization in LAMMPS and an initial guess at the equilibrium lattice spacing supplied by the user through pipeline.stdin.tpl." "developer" [ "4d62befd-21c4-42b8-a472-86132e6591f3" ] "domain" "openkim.org" "executables" [ "runner" ] "extended-id" "LammpsExample__TD_567444853524_004" "kim-api-version" "1.9.0" "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "properties" [ "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" ] "publication-year" "2018" "simulator-name" "LAMMPS" "title" "LammpsExample: cohesive energy and equilibrium lattice constant of fcc argon" }