{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.875 0.5 0.75 ] [ 0.125 0 0.75 ] [ 0.75 0.875 0.5 ] [ 0.5 0.75 0.875 ] [ 0.75 0.125 0 ] [ 0 0.75 0.125 ] [ 0.375 0 0.25 ] [ 0.625 0.5 0.25 ] [ 0.25 0.375 0 ] [ 0 0.25 0.375 ] [ 0.25 0.625 0.5 ] [ 0.5 0.25 0.625 ] [ 0.087387 0.087387 0.087387 ] [ 0.912613 0.412613 0.087387 ] [ 0.087387 0.912613 0.412613 ] [ 0.412613 0.087387 0.912613 ] [ 0.837387 0.837387 0.837387 ] [ 0.162613 0.662613 0.837387 ] [ 0.662613 0.837387 0.162613 ] [ 0.837387 0.162613 0.662613 ] [ 0.587387 0.587387 0.587387 ] [ 0.412613 0.912613 0.587387 ] [ 0.587387 0.412613 0.912613 ] [ 0.912613 0.587387 0.412613 ] [ 0.337387 0.337387 0.337387 ] [ 0.662613 0.162613 0.337387 ] [ 0.162613 0.337387 0.662613 ] [ 0.337387 0.662613 0.162613 ] [ 0.875 0 0.25 ] [ 0.125 0.5 0.25 ] [ 0.25 0.875 0 ] [ 0 0.25 0.875 ] [ 0.25 0.125 0.5 ] [ 0.5 0.25 0.125 ] [ 0.375 0.5 0.75 ] [ 0.625 0 0.75 ] [ 0.75 0.375 0.5 ] [ 0.5 0.75 0.375 ] [ 0.75 0.625 0 ] [ 0 0.75 0.625 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.1578099 "source-unit" "angstrom" } }