{ "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 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0.75 0.25 ] [ 0.25 0.25 0 ] [ 0.25 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.25 0.75 ] [ 0.75 0.75 0 ] [ 0.75 0 0.75 ] [ 0 0 0 ] [ 0 0.75 0.75 ] [ 0.75 0.25 0.5 ] [ 0.75 0.5 0.25 ] [ 0 0.5 0.5 ] [ 0 0.25 0.25 ] [ 0.125 0.125 0.625 ] [ 0.375 0.375 0.375 ] [ 0.125 0.625 0.125 ] [ 0.375 0.875 0.875 ] [ 0.625 0.125 0.125 ] [ 0.875 0.375 0.875 ] [ 0.625 0.625 0.625 ] [ 0.875 0.875 0.375 ] [ 0.483347 0.983347 0.266653 ] [ 0.983347 0.266653 0.483347 ] [ 0.016653 0.516653 0.733347 ] [ 0.266653 0.983347 0.483347 ] [ 0.266653 0.266653 0.766653 ] [ 0.233347 0.516653 0.516653 ] [ 0.233347 0.233347 0.233347 ] [ 0.516653 0.233347 0.516653 ] [ 0.483347 0.483347 0.766653 ] [ 0.983347 0.766653 0.983347 ] [ 0.016653 0.016653 0.233347 ] [ 0.266653 0.483347 0.983347 ] [ 0.266653 0.766653 0.266653 ] [ 0.233347 0.016653 0.016653 ] [ 0.233347 0.733347 0.733347 ] [ 0.516653 0.733347 0.016653 ] [ 0.983347 0.983347 0.766653 ] [ 0.483347 0.266653 0.983347 ] [ 0.516653 0.516653 0.233347 ] [ 0.766653 0.983347 0.983347 ] [ 0.766653 0.266653 0.266653 ] [ 0.733347 0.516653 0.016653 ] [ 0.733347 0.233347 0.733347 ] [ 0.016653 0.233347 0.016653 ] [ 0.983347 0.483347 0.266653 ] [ 0.483347 0.766653 0.483347 ] [ 0.516653 0.016653 0.733347 ] [ 0.766653 0.483347 0.483347 ] [ 0.766653 0.766653 0.766653 ] [ 0.733347 0.016653 0.516653 ] [ 0.733347 0.733347 0.233347 ] [ 0.016653 0.733347 0.516653 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 10.9065804234 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.2380787078571425 "source-unit" "eV" } }