{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.25 ] [ 0 0 0.5 ] [ 0 0.25 0.75 ] [ 0.75 0.25 0 ] [ 0.75 0.5 0.75 ] [ 0 0.5 0 ] [ 0 0.75 0.25 ] [ 0.75 0.75 0.5 ] [ 0.25 0 0.75 ] [ 0.5 0 0 ] [ 0.5 0.25 0.25 ] [ 0.25 0.25 0.5 ] [ 0.25 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0.75 0.75 ] [ 0.25 0.75 0 ] [ 0.125 0.125 0.125 ] [ 0.375 0.875 0.375 ] [ 0.125 0.625 0.625 ] [ 0.375 0.375 0.875 ] [ 0.625 0.125 0.625 ] [ 0.875 0.875 0.875 ] [ 0.625 0.625 0.125 ] [ 0.875 0.375 0.375 ] [ 0.277142 0.972858 0.472858 ] [ 0.027142 0.222858 0.027142 ] [ 0.277142 0.777142 0.277142 ] [ 0.472858 0.972858 0.277142 ] [ 0.222858 0.027142 0.027142 ] [ 0.027142 0.027142 0.222858 ] [ 0.472858 0.777142 0.472858 ] [ 0.222858 0.222858 0.222858 ] [ 0.277142 0.472858 0.972858 ] [ 0.027142 0.722858 0.527142 ] [ 0.277142 0.277142 0.777142 ] [ 0.472858 0.472858 0.777142 ] [ 0.222858 0.527142 0.527142 ] [ 0.027142 0.527142 0.722858 ] [ 0.472858 0.277142 0.972858 ] [ 0.222858 0.722858 0.722858 ] [ 0.777142 0.972858 0.972858 ] [ 0.527142 0.222858 0.527142 ] [ 0.777142 0.777142 0.777142 ] [ 0.972858 0.972858 0.777142 ] [ 0.722858 0.027142 0.527142 ] [ 0.527142 0.027142 0.722858 ] [ 0.972858 0.777142 0.972858 ] [ 0.722858 0.222858 0.722858 ] [ 0.777142 0.472858 0.472858 ] [ 0.527142 0.722858 0.027142 ] [ 0.777142 0.277142 0.277142 ] [ 0.972858 0.472858 0.277142 ] [ 0.722858 0.527142 0.027142 ] [ 0.527142 0.527142 0.222858 ] [ 0.972858 0.277142 0.472858 ] [ 0.722858 0.722858 0.222858 ] [ 0.975121 0.975121 0.274879 ] [ 0.274879 0.975121 0.975121 ] [ 0.524879 0.024879 0.225121 ] [ 0.975121 0.774879 0.475121 ] [ 0.225121 0.024879 0.524879 ] [ 0.225121 0.225121 0.725121 ] [ 0.524879 0.225121 0.024879 ] [ 0.274879 0.774879 0.774879 ] [ 0.975121 0.475121 0.774879 ] [ 0.274879 0.475121 0.475121 ] [ 0.524879 0.524879 0.725121 ] [ 0.975121 0.274879 0.975121 ] [ 0.225121 0.524879 0.024879 ] [ 0.225121 0.725121 0.225121 ] [ 0.524879 0.725121 0.524879 ] [ 0.274879 0.274879 0.274879 ] [ 0.475121 0.975121 0.774879 ] [ 0.774879 0.975121 0.475121 ] [ 0.024879 0.024879 0.725121 ] [ 0.475121 0.774879 0.975121 ] [ 0.725121 0.024879 0.024879 ] [ 0.725121 0.225121 0.225121 ] [ 0.024879 0.225121 0.524879 ] [ 0.774879 0.774879 0.274879 ] [ 0.475121 0.475121 0.274879 ] [ 0.774879 0.475121 0.975121 ] [ 0.024879 0.524879 0.225121 ] [ 0.475121 0.274879 0.475121 ] [ 0.725121 0.524879 0.524879 ] [ 0.725121 0.725121 0.725121 ] [ 0.024879 0.725121 0.024879 ] [ 0.774879 0.274879 0.774879 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 13.0263909443 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.575399099999999 "source-unit" "eV" } }