{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0 0 0.313668 ] [ 0 0 0.686332 ] [ 0 0.686332 0 ] [ 0 0.313668 0 ] [ 0.686332 0 0 ] [ 0.313668 0 0 ] [ 0.5 0.5 0.813668 ] [ 0.5 0.5 0.186332 ] [ 0.5 0.186332 0.5 ] [ 0.5 0.813668 0.5 ] [ 0.186332 0.5 0.5 ] [ 0.813668 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.5 0 ] [ 0 0.5 0.25 ] [ 0.5 0.25 0 ] [ 0 0.25 0.5 ] [ 0.25 0 0.5 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0.5 ] [ 0.75 0 0.5 ] [ 0.5 0 0.75 ] [ 0 0.75 0.5 ] [ 0.5 0.75 0 ] [ 0.75 0.5 0 ] [ 0 0.5 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 8.18761593805 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.110616253529412 "source-unit" "eV" } }