{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pm-3n" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.5 0.348182 0.192158 ] [ 0.807842 0.5 0.348182 ] [ 0.192158 0.5 0.348182 ] [ 0.651818 0.192158 0.5 ] [ 0.348182 0.192158 0.5 ] [ 0.5 0.651818 0.807842 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.307842 0.151818 ] [ 0.5 0.348182 0.807842 ] [ 0.5 0.651818 0.192158 ] [ 0.651818 0.807842 0.5 ] [ 0.348182 0.807842 0.5 ] [ 0.192158 0.5 0.651818 ] [ 0.807842 0.5 0.651818 ] [ 0.151818 0 0.307842 ] [ 0.307842 0.151818 0 ] [ 0.692158 0.848182 0 ] [ 0.151818 0 0.692158 ] [ 0.692158 0.151818 0 ] [ 0.848182 0 0.307842 ] [ 0.848182 0 0.692158 ] [ 0.307842 0.848182 0 ] [ 0 0.692158 0.848182 ] [ 0 0.307842 0.848182 ] [ 0 0.692158 0.151818 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" 9.81246548 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.70500596575 "source-unit" "eV" } }