{ "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" [ [ 0.625 0.125 0.625 ] [ 0.875 0.875 0.875 ] [ 0.75 0 0.25 ] [ 0.5 0.75 0.75 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0 ] [ 0.625 0.625 0.125 ] [ 0.875 0.375 0.375 ] [ 0.75 0.5 0.75 ] [ 0.5 0.25 0.25 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0.125 0.125 0.125 ] [ 0.375 0.875 0.375 ] [ 0.25 0 0.75 ] [ 0 0.75 0.25 ] [ 0.25 0.75 0 ] [ 0 0 0.5 ] [ 0.125 0.625 0.625 ] [ 0.375 0.375 0.875 ] [ 0.25 0.5 0.25 ] [ 0 0.25 0.75 ] [ 0.25 0.25 0.5 ] [ 0 0.5 0 ] [ 0.994142 0.755858 0.494142 ] [ 0.744142 0.005858 0.005858 ] [ 0.005858 0.005858 0.744142 ] [ 0.744142 0.244142 0.244142 ] [ 0.494142 0.994142 0.755858 ] [ 0.755858 0.755858 0.255858 ] [ 0.755858 0.994142 0.494142 ] [ 0.505858 0.244142 0.005858 ] [ 0.994142 0.255858 0.994142 ] [ 0.744142 0.505858 0.505858 ] [ 0.005858 0.505858 0.244142 ] [ 0.744142 0.744142 0.744142 ] [ 0.494142 0.494142 0.255858 ] [ 0.755858 0.255858 0.755858 ] [ 0.755858 0.494142 0.994142 ] [ 0.505858 0.744142 0.505858 ] [ 0.494142 0.755858 0.994142 ] [ 0.244142 0.005858 0.505858 ] [ 0.505858 0.005858 0.244142 ] [ 0.244142 0.244142 0.744142 ] [ 0.994142 0.994142 0.255858 ] [ 0.255858 0.755858 0.755858 ] [ 0.255858 0.994142 0.994142 ] [ 0.005858 0.244142 0.505858 ] [ 0.494142 0.255858 0.494142 ] [ 0.244142 0.505858 0.005858 ] [ 0.505858 0.505858 0.744142 ] [ 0.244142 0.744142 0.244142 ] [ 0.994142 0.494142 0.755858 ] [ 0.255858 0.255858 0.255858 ] [ 0.255858 0.494142 0.494142 ] [ 0.005858 0.744142 0.005858 ] ] } "species" { "source-value" [ "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" 6.78249504471 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.999717184285714 "source-unit" "eV" } }