{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.44546 ] [ 0.333333 0.666667 0.55454 ] [ 0.666667 0.333333 0.05454 ] [ 0.333333 0.666667 0.94546 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.651694 0.825847 0.25 ] [ 0.825847 0.174153 0.75 ] [ 0.174153 0.825847 0.25 ] [ 0.825847 0.651694 0.75 ] [ 0.174153 0.348306 0.25 ] [ 0.348306 0.174153 0.75 ] [ 0.830258 0.660516 0.641945 ] [ 0.339484 0.169742 0.858055 ] [ 0.830258 0.169742 0.641945 ] [ 0.169742 0.830258 0.141945 ] [ 0.169742 0.339484 0.358055 ] [ 0.660516 0.830258 0.358055 ] [ 0.169742 0.339484 0.141945 ] [ 0.169742 0.830258 0.358055 ] [ 0.830258 0.169742 0.858055 ] [ 0.339484 0.169742 0.641945 ] [ 0.830258 0.660516 0.858055 ] [ 0.660516 0.830258 0.141945 ] [ 0.83653 0.673061 0.578359 ] [ 0.16347 0.326939 0.078359 ] [ 0.326939 0.16347 0.578359 ] [ 0.83653 0.16347 0.921641 ] [ 0.673061 0.83653 0.421641 ] [ 0.83653 0.16347 0.578359 ] [ 0.326939 0.16347 0.921641 ] [ 0.16347 0.83653 0.421641 ] [ 0.673061 0.83653 0.078359 ] [ 0.16347 0.326939 0.421641 ] [ 0.16347 0.83653 0.078359 ] [ 0.83653 0.673061 0.921641 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Na" "Na" "Au" "Au" "Au" "Au" "Au" "Au" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.30770804219 "source-unit" "angstrom" } "c" { "source-value" 18.41846078 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.644768706111112 "source-unit" "eV" } }