{ "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" [ [ 0.375 0.375 0.375 ] [ 0.125 0.125 0.625 ] [ 0.375 0.875 0.875 ] [ 0.125 0.625 0.125 ] [ 0.875 0.375 0.875 ] [ 0.625 0.125 0.125 ] [ 0.875 0.875 0.375 ] [ 0.625 0.625 0.625 ] [ 0.25 0.5 0.75 ] [ 0.5 0.25 0.75 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0 0.25 ] [ 0.5 0.75 0.25 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.5 0.25 ] [ 0 0.25 0.25 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0 0.75 ] [ 0 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0.482677 0.982677 0.267323 ] [ 0.232677 0.232677 0.232677 ] [ 0.517323 0.232677 0.517323 ] [ 0.232677 0.517323 0.517323 ] [ 0.982677 0.267323 0.482677 ] [ 0.267323 0.982677 0.482677 ] [ 0.017323 0.517323 0.732677 ] [ 0.267323 0.267323 0.767323 ] [ 0.482677 0.482677 0.767323 ] [ 0.232677 0.732677 0.732677 ] [ 0.517323 0.732677 0.017323 ] [ 0.232677 0.017323 0.017323 ] [ 0.982677 0.767323 0.982677 ] [ 0.267323 0.482677 0.982677 ] [ 0.017323 0.017323 0.232677 ] [ 0.267323 0.767323 0.267323 ] [ 0.982677 0.982677 0.767323 ] [ 0.732677 0.232677 0.732677 ] [ 0.017323 0.232677 0.017323 ] [ 0.732677 0.517323 0.017323 ] [ 0.482677 0.267323 0.982677 ] [ 0.767323 0.982677 0.982677 ] [ 0.517323 0.517323 0.232677 ] [ 0.767323 0.267323 0.267323 ] [ 0.982677 0.482677 0.267323 ] [ 0.732677 0.732677 0.232677 ] [ 0.017323 0.732677 0.517323 ] [ 0.732677 0.017323 0.517323 ] [ 0.482677 0.767323 0.482677 ] [ 0.767323 0.482677 0.482677 ] [ 0.517323 0.017323 0.732677 ] [ 0.767323 0.767323 0.767323 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 8.84494597591 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.955752300714286 "source-unit" "eV" } }