{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.389965 0.389965 0.389965 ] [ 0.110035 0.610035 0.889965 ] [ 0.889965 0.110035 0.610035 ] [ 0.610035 0.889965 0.110035 ] [ 0.610035 0.610035 0.610035 ] [ 0.889965 0.389965 0.110035 ] [ 0.110035 0.889965 0.389965 ] [ 0.389965 0.110035 0.889965 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.75477911 "source-unit" "angstrom" } }