{ "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" [ [ 0.012005 0.512005 0.737995 ] [ 0.262005 0.987995 0.487995 ] [ 0.987995 0.262005 0.487995 ] [ 0.262005 0.262005 0.762005 ] [ 0.512005 0.237995 0.512005 ] [ 0.237995 0.237995 0.237995 ] [ 0.237995 0.512005 0.512005 ] [ 0.487995 0.987995 0.262005 ] [ 0.012005 0.012005 0.237995 ] [ 0.262005 0.487995 0.987995 ] [ 0.987995 0.762005 0.987995 ] [ 0.262005 0.762005 0.262005 ] [ 0.512005 0.737995 0.012005 ] [ 0.237995 0.737995 0.737995 ] [ 0.237995 0.012005 0.012005 ] [ 0.487995 0.487995 0.762005 ] [ 0.512005 0.512005 0.237995 ] [ 0.762005 0.987995 0.987995 ] [ 0.487995 0.262005 0.987995 ] [ 0.762005 0.262005 0.262005 ] [ 0.012005 0.237995 0.012005 ] [ 0.737995 0.237995 0.737995 ] [ 0.737995 0.512005 0.012005 ] [ 0.987995 0.987995 0.762005 ] [ 0.512005 0.012005 0.737995 ] [ 0.762005 0.487995 0.487995 ] [ 0.487995 0.762005 0.487995 ] [ 0.762005 0.762005 0.762005 ] [ 0.012005 0.737995 0.512005 ] [ 0.737995 0.737995 0.237995 ] [ 0.737995 0.012005 0.512005 ] [ 0.987995 0.487995 0.262005 ] [ 0.25 0 0.75 ] [ 0 0.5 0 ] [ 0 0.25 0.75 ] [ 0.25 0.25 0.5 ] [ 0.25 0.5 0.25 ] [ 0 0 0.5 ] [ 0 0.75 0.25 ] [ 0.25 0.75 0 ] [ 0.75 0 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0.25 0.25 ] [ 0.75 0.25 0 ] [ 0.75 0.5 0.75 ] [ 0.5 0 0 ] [ 0.5 0.75 0.75 ] [ 0.75 0.75 0.5 ] [ 0.25 0.5 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0.25 0.75 ] [ 0.25 0.25 0 ] [ 0.25 0 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.75 0.25 ] [ 0.25 0.75 0.5 ] [ 0.75 0.5 0.25 ] [ 0 0 0 ] [ 0 0.25 0.25 ] [ 0.75 0.25 0.5 ] [ 0.75 0 0.75 ] [ 0 0.5 0.5 ] [ 0 0.75 0.75 ] [ 0.75 0.75 0 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 10.1194771495 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.722288055625 "source-unit" "eV" } }