{ "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" [ [ 0.5 0.75 0.75 ] [ 0.75 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.5 0.75 ] [ 0.5 0.25 0.25 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.75 0 0.25 ] [ 0 0.75 0.25 ] [ 0.25 0.75 0 ] [ 0 0.5 0 ] [ 0.25 0.5 0.25 ] [ 0 0.25 0.75 ] [ 0.25 0.25 0.5 ] [ 0 0 0.5 ] [ 0.25 0 0.75 ] [ 0 0.25 0.25 ] [ 0 0.5 0.5 ] [ 0.75 0.5 0.25 ] [ 0.75 0.25 0.5 ] [ 0 0.75 0.75 ] [ 0 0 0 ] [ 0.75 0 0.75 ] [ 0.75 0.75 0 ] [ 0.5 0.25 0.75 ] [ 0.5 0.5 0 ] [ 0.25 0.5 0.75 ] [ 0.25 0.25 0 ] [ 0.5 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0.25 0 0.25 ] [ 0.25 0.75 0.5 ] [ 0.625 0.625 0.625 ] [ 0.917274 0.625 0.625 ] [ 0.875 0.582726 0.375 ] [ 0.875 0.875 0.667274 ] [ 0.375 0.875 0.582726 ] [ 0.667274 0.875 0.875 ] [ 0.832726 0.625 0.125 ] [ 0.875 0.875 0.375 ] [ 0.125 0.332726 0.125 ] [ 0.625 0.625 0.332726 ] [ 0.375 0.167274 0.875 ] [ 0.125 0.625 0.417274 ] [ 0.582726 0.875 0.375 ] [ 0.625 0.917274 0.625 ] [ 0.625 0.125 0.125 ] [ 0.917274 0.125 0.125 ] [ 0.875 0.082726 0.875 ] [ 0.875 0.375 0.167274 ] [ 0.375 0.375 0.082726 ] [ 0.667274 0.375 0.375 ] [ 0.832726 0.125 0.625 ] [ 0.875 0.375 0.875 ] [ 0.125 0.832726 0.625 ] [ 0.625 0.125 0.832726 ] [ 0.375 0.667274 0.375 ] [ 0.125 0.125 0.917274 ] [ 0.582726 0.375 0.875 ] [ 0.625 0.417274 0.125 ] [ 0.125 0.625 0.125 ] [ 0.417274 0.625 0.125 ] [ 0.375 0.582726 0.875 ] [ 0.375 0.875 0.167274 ] [ 0.875 0.875 0.082726 ] [ 0.167274 0.875 0.375 ] [ 0.332726 0.625 0.625 ] [ 0.375 0.875 0.875 ] [ 0.625 0.332726 0.625 ] [ 0.125 0.625 0.832726 ] [ 0.875 0.167274 0.375 ] [ 0.625 0.625 0.917274 ] [ 0.082726 0.875 0.875 ] [ 0.125 0.917274 0.125 ] [ 0.125 0.125 0.625 ] [ 0.417274 0.125 0.625 ] [ 0.375 0.082726 0.375 ] [ 0.375 0.375 0.667274 ] [ 0.875 0.375 0.582726 ] [ 0.167274 0.375 0.875 ] [ 0.332726 0.125 0.125 ] [ 0.375 0.375 0.375 ] [ 0.625 0.832726 0.125 ] [ 0.125 0.125 0.332726 ] [ 0.875 0.667274 0.875 ] [ 0.625 0.125 0.417274 ] [ 0.082726 0.375 0.375 ] [ 0.125 0.417274 0.625 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "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" 10.0608003288 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.131033957272727 "source-unit" "eV" } }