{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.679199 0.320801 0 ] [ 0.820801 0.820801 0.5 ] [ 0.179199 0.179199 0.5 ] [ 0.320801 0.679199 0 ] [ 0.165083 0.165083 0 ] [ 0.665083 0.334917 0.5 ] [ 0.334917 0.665083 0.5 ] [ 0.834917 0.834917 0 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.37588 0.37588 0.236069 ] [ 0.87588 0.12412 0.736069 ] [ 0.12412 0.87588 0.736069 ] [ 0.62412 0.62412 0.236069 ] [ 0.12412 0.87588 0.263931 ] [ 0.87588 0.12412 0.263931 ] [ 0.37588 0.37588 0.763931 ] [ 0.62412 0.62412 0.763931 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Pb" "Pb" "Pb" "Pb" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.18857859 "source-unit" "angstrom" } "c" { "source-value" 7.31990025 "source-unit" "angstrom" } }