{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.212986 0.787014 0.787014 ] [ 0.5 0.5 0.864962 ] [ 0.212986 0.787014 0.212986 ] [ 0.787014 0.212986 0.787014 ] [ 0.787014 0.787014 0.212986 ] [ 0.135038 0.5 0.5 ] [ 0.5 0.864962 0.5 ] [ 0.5 0.135038 0.5 ] [ 0.5 0.5 0.135038 ] [ 0.212986 0.212986 0.212986 ] [ 0.864962 0.5 0.5 ] [ 0.787014 0.212986 0.212986 ] [ 0.212986 0.212986 0.787014 ] [ 0.787014 0.787014 0.787014 ] [ 0.5 0.262017 0.262017 ] [ 0 0 0.224801 ] [ 0.32314 0 0.67686 ] [ 0.737983 0.5 0.262017 ] [ 0.67686 0.32314 0 ] [ 0.775199 0 0 ] [ 0.32314 0 0.32314 ] [ 0 0 0.775199 ] [ 0.737983 0.262017 0.5 ] [ 0.67686 0 0.32314 ] [ 0.224801 0 0 ] [ 0 0.32314 0.32314 ] [ 0.737983 0.5 0.737983 ] [ 0 0.67686 0.32314 ] [ 0.262017 0.5 0.737983 ] [ 0 0.67686 0.67686 ] [ 0.737983 0.737983 0.5 ] [ 0 0.32314 0.67686 ] [ 0.5 0.737983 0.737983 ] [ 0.32314 0.32314 0 ] [ 0.5 0.262017 0.737983 ] [ 0.32314 0.67686 0 ] [ 0 0.224801 0 ] [ 0.67686 0 0.67686 ] [ 0.262017 0.262017 0.5 ] [ 0.262017 0.737983 0.5 ] [ 0.5 0.737983 0.262017 ] [ 0.262017 0.5 0.262017 ] [ 0 0.775199 0 ] [ 0.67686 0.67686 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "sc" ] } "a" { "source-value" 8.92471018 "source-unit" "angstrom" } }