{ "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" [ [ 0.25 0.75 0.5 ] [ 0.25 0.5 0.75 ] [ 0 0 0 ] [ 0 0.75 0.75 ] [ 0.25 0.25 0 ] [ 0.25 0 0.25 ] [ 0 0.5 0.5 ] [ 0 0.25 0.25 ] [ 0.75 0.75 0 ] [ 0.75 0.5 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0.75 0.25 ] [ 0.75 0.25 0.5 ] [ 0.75 0 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.25 0.75 ] [ 0.25 0.75 0 ] [ 0.25 0.5 0.25 ] [ 0 0.5 0 ] [ 0.5 0.75 0.75 ] [ 0.25 0.25 0.5 ] [ 0.25 0 0.75 ] [ 0 0 0.5 ] [ 0.5 0.25 0.25 ] [ 0.75 0.75 0.5 ] [ 0.75 0.5 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.75 0.25 ] [ 0.75 0.25 0 ] [ 0.75 0 0.25 ] [ 0.5 0 0 ] [ 0 0.25 0.75 ] [ 0.375 0.375 0.875 ] [ 0.125 0.125 0.125 ] [ 0.625 0.625 0.838733 ] [ 0.375 0.875 0.088733 ] [ 0.625 0.411267 0.625 ] [ 0.411267 0.625 0.625 ] [ 0.338733 0.625 0.125 ] [ 0.125 0.838733 0.125 ] [ 0.125 0.625 0.911267 ] [ 0.161267 0.875 0.875 ] [ 0.088733 0.875 0.375 ] [ 0.875 0.875 0.161267 ] [ 0.375 0.661267 0.875 ] [ 0.875 0.088733 0.375 ] [ 0.375 0.875 0.375 ] [ 0.125 0.625 0.625 ] [ 0.625 0.125 0.338733 ] [ 0.375 0.375 0.588733 ] [ 0.625 0.911267 0.125 ] [ 0.411267 0.125 0.125 ] [ 0.338733 0.125 0.625 ] [ 0.125 0.338733 0.625 ] [ 0.125 0.125 0.411267 ] [ 0.161267 0.375 0.375 ] [ 0.088733 0.375 0.875 ] [ 0.875 0.375 0.661267 ] [ 0.375 0.161267 0.375 ] [ 0.875 0.588733 0.875 ] [ 0.875 0.375 0.375 ] [ 0.625 0.125 0.625 ] [ 0.125 0.625 0.338733 ] [ 0.875 0.875 0.588733 ] [ 0.125 0.411267 0.125 ] [ 0.911267 0.625 0.125 ] [ 0.838733 0.625 0.625 ] [ 0.625 0.838733 0.625 ] [ 0.625 0.625 0.411267 ] [ 0.661267 0.875 0.375 ] [ 0.588733 0.875 0.875 ] [ 0.375 0.875 0.661267 ] [ 0.875 0.661267 0.375 ] [ 0.375 0.088733 0.875 ] [ 0.875 0.875 0.875 ] [ 0.625 0.625 0.125 ] [ 0.125 0.125 0.838733 ] [ 0.875 0.375 0.088733 ] [ 0.125 0.911267 0.625 ] [ 0.911267 0.125 0.625 ] [ 0.838733 0.125 0.125 ] [ 0.625 0.338733 0.125 ] [ 0.625 0.125 0.911267 ] [ 0.661267 0.375 0.875 ] [ 0.588733 0.375 0.375 ] [ 0.375 0.375 0.161267 ] [ 0.875 0.161267 0.875 ] [ 0.375 0.588733 0.375 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" 10.5146466649 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.6291802118181815 "source-unit" "eV" } }