{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.300071 0.699929 0.143744 ] [ 0.699929 0.699929 0.856256 ] [ 0.300071 0.300071 0.856256 ] [ 0.699929 0.300071 0.143744 ] [ 0.800071 0.199929 0.643744 ] [ 0.199929 0.199929 0.356256 ] [ 0.800071 0.800071 0.356256 ] [ 0.199929 0.800071 0.643744 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.830205 0.169795 0.904031 ] [ 0.169795 0.169795 0.095969 ] [ 0.830205 0.830205 0.095969 ] [ 0.169795 0.830205 0.904031 ] [ 0.330205 0.669795 0.404031 ] [ 0.669795 0.669795 0.595969 ] [ 0.330205 0.330205 0.595969 ] [ 0.669795 0.330205 0.404031 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "C" "C" "O" "O" "O" "O" "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" 4.84045722606 "source-unit" "angstrom" } "c" { "source-value" 8.88946454993 "source-unit" "angstrom" } }