{ "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 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.387199 0.112801 0.887199 ] [ 0.112801 0.887199 0.387199 ] [ 0.887199 0.387199 0.112801 ] [ 0.612801 0.612801 0.612801 ] [ 0.387199 0.387199 0.387199 ] [ 0.112801 0.612801 0.887199 ] [ 0.887199 0.112801 0.612801 ] [ 0.612801 0.887199 0.112801 ] ] } "species" { "source-value" [ "Ru" "Ru" "Ru" "Ru" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.65582249 "source-unit" "angstrom" } }