{ "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" [ [ 0.125 0.875 0.875 ] [ 0.875 0.875 0.125 ] [ 0.875 0.125 0.875 ] [ 0.125 0.125 0.125 ] [ 0.125 0.375 0.375 ] [ 0.875 0.375 0.625 ] [ 0.875 0.625 0.375 ] [ 0.125 0.625 0.625 ] [ 0.625 0.875 0.375 ] [ 0.375 0.875 0.625 ] [ 0.375 0.125 0.375 ] [ 0.625 0.125 0.625 ] [ 0.625 0.375 0.875 ] [ 0.375 0.375 0.125 ] [ 0.375 0.625 0.875 ] [ 0.625 0.625 0.125 ] [ 0.625 0.125 0.125 ] [ 0.875 0.125 0.375 ] [ 0.875 0.375 0.125 ] [ 0.625 0.375 0.375 ] [ 0.625 0.625 0.625 ] [ 0.875 0.625 0.875 ] [ 0.875 0.875 0.625 ] [ 0.625 0.875 0.875 ] [ 0.125 0.125 0.625 ] [ 0.375 0.125 0.875 ] [ 0.375 0.375 0.625 ] [ 0.125 0.375 0.875 ] [ 0.125 0.625 0.125 ] [ 0.375 0.625 0.375 ] [ 0.375 0.875 0.125 ] [ 0.125 0.875 0.375 ] [ 0 0 0 ] [ 0.25 0.75 0.75 ] [ 0 0.730299 0 ] [ 0.730299 0 0 ] [ 0 0 0.269701 ] [ 0 0 0.730299 ] [ 0.269701 0 0 ] [ 0.75 0.480299 0.25 ] [ 0 0.269701 0 ] [ 0.75 0.25 0.480299 ] [ 0.519701 0.25 0.25 ] [ 0.75 0.25 0.019701 ] [ 0.980299 0.25 0.25 ] [ 0.75 0.019701 0.25 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0 0.230299 0.5 ] [ 0.730299 0.5 0.5 ] [ 0 0.5 0.769701 ] [ 0 0.5 0.230299 ] [ 0.269701 0.5 0.5 ] [ 0.75 0.980299 0.75 ] [ 0 0.769701 0.5 ] [ 0.75 0.75 0.980299 ] [ 0.519701 0.75 0.75 ] [ 0.75 0.75 0.519701 ] [ 0.980299 0.75 0.75 ] [ 0.75 0.519701 0.75 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.25 ] [ 0.5 0.730299 0.5 ] [ 0.230299 0 0.5 ] [ 0.5 0 0.769701 ] [ 0.5 0 0.230299 ] [ 0.769701 0 0.5 ] [ 0.25 0.480299 0.75 ] [ 0.5 0.269701 0.5 ] [ 0.25 0.25 0.980299 ] [ 0.019701 0.25 0.75 ] [ 0.25 0.25 0.519701 ] [ 0.480299 0.25 0.75 ] [ 0.25 0.019701 0.75 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.75 ] [ 0.5 0.230299 0 ] [ 0.230299 0.5 0 ] [ 0.5 0.5 0.269701 ] [ 0.5 0.5 0.730299 ] [ 0.769701 0.5 0 ] [ 0.25 0.980299 0.25 ] [ 0.5 0.769701 0 ] [ 0.25 0.75 0.480299 ] [ 0.019701 0.75 0.25 ] [ 0.25 0.75 0.019701 ] [ 0.480299 0.75 0.25 ] [ 0.25 0.519701 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 11.48022693 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.805132926363637 "source-unit" "eV" } }