{ "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" [ [ 0.75 0 0.25 ] [ 0.5 0.75 0.75 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0 ] [ 0.75 0.5 0.75 ] [ 0.5 0.25 0.25 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0 0.75 ] [ 0 0.75 0.25 ] [ 0.25 0.75 0 ] [ 0 0 0.5 ] [ 0.25 0.5 0.25 ] [ 0 0.25 0.75 ] [ 0.25 0.25 0.5 ] [ 0 0.5 0 ] [ 0.75 0 0.75 ] [ 0 0.75 0.75 ] [ 0.75 0.75 0 ] [ 0 0 0 ] [ 0.75 0.5 0.25 ] [ 0 0.25 0.25 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0 0.25 ] [ 0.5 0.75 0.25 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.5 0.75 ] [ 0.5 0.25 0.75 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0 ] [ 0.625 0.125 0.125 ] [ 0.375 0.875 0.875 ] [ 0.910721 0.125 0.125 ] [ 0.660721 0.875 0.875 ] [ 0.125 0.910721 0.125 ] [ 0.125 0.125 0.910721 ] [ 0.125 0.125 0.339279 ] [ 0.125 0.839279 0.625 ] [ 0.339279 0.125 0.125 ] [ 0.875 0.875 0.660721 ] [ 0.875 0.875 0.089279 ] [ 0.089279 0.875 0.875 ] [ 0.875 0.160721 0.375 ] [ 0.875 0.089279 0.875 ] [ 0.625 0.625 0.625 ] [ 0.375 0.375 0.375 ] [ 0.910721 0.625 0.625 ] [ 0.660721 0.375 0.375 ] [ 0.125 0.410721 0.625 ] [ 0.125 0.625 0.410721 ] [ 0.125 0.625 0.839279 ] [ 0.125 0.339279 0.125 ] [ 0.339279 0.625 0.625 ] [ 0.875 0.375 0.160721 ] [ 0.875 0.375 0.589279 ] [ 0.089279 0.375 0.375 ] [ 0.875 0.660721 0.875 ] [ 0.875 0.589279 0.375 ] [ 0.125 0.125 0.625 ] [ 0.875 0.875 0.375 ] [ 0.410721 0.125 0.625 ] [ 0.160721 0.875 0.375 ] [ 0.625 0.910721 0.625 ] [ 0.625 0.125 0.410721 ] [ 0.625 0.125 0.839279 ] [ 0.625 0.839279 0.125 ] [ 0.839279 0.125 0.625 ] [ 0.375 0.875 0.160721 ] [ 0.375 0.875 0.589279 ] [ 0.589279 0.875 0.375 ] [ 0.375 0.160721 0.875 ] [ 0.375 0.089279 0.375 ] [ 0.125 0.625 0.125 ] [ 0.875 0.375 0.875 ] [ 0.410721 0.625 0.125 ] [ 0.160721 0.375 0.875 ] [ 0.625 0.410721 0.125 ] [ 0.625 0.625 0.910721 ] [ 0.625 0.625 0.339279 ] [ 0.625 0.339279 0.625 ] [ 0.839279 0.625 0.125 ] [ 0.375 0.375 0.660721 ] [ 0.375 0.375 0.089279 ] [ 0.589279 0.375 0.875 ] [ 0.375 0.660721 0.375 ] [ 0.375 0.589279 0.875 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "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" 10.4975862176 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.3083091831818185 "source-unit" "eV" } }