{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.696988 0.89791 0.5 ] [ 0.303012 0.10209 0.5 ] [ 0.89791 0.303012 0.5 ] [ 0.10209 0.696988 0.5 ] [ 0.196988 0.39791 0 ] [ 0.803012 0.60209 0 ] [ 0.39791 0.803012 0 ] [ 0.60209 0.196988 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.924132 0.254289 0 ] [ 0.745711 0.924132 0 ] [ 0.254289 0.075868 0 ] [ 0.075868 0.745711 0 ] [ 0 0 0.5 ] [ 0.424132 0.754289 0.5 ] [ 0.245711 0.424132 0.5 ] [ 0.754289 0.575868 0.5 ] [ 0.575868 0.245711 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "U" "U" "O" "O" "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" 7.68109749174 "source-unit" "angstrom" } "c" { "source-value" 4.64955592878 "source-unit" "angstrom" } }