{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.679688 0.820312 0.179688 ] [ 0.820312 0.179688 0.679688 ] [ 0.179688 0.679688 0.820312 ] [ 0.320312 0.320312 0.320312 ] [ 0.919025 0.419025 0.080975 ] [ 0.080975 0.919025 0.419025 ] [ 0.419025 0.080975 0.919025 ] [ 0.580975 0.580975 0.580975 ] [ 0.405089 0.594911 0.094911 ] [ 0.594911 0.094911 0.405089 ] [ 0.905089 0.905089 0.905089 ] [ 0.094911 0.405089 0.594911 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "S" "S" "S" "S" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.69862036 "source-unit" "angstrom" } }