{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.834911 0.334911 0.833982 ] [ 0.334911 0.165089 0.833982 ] [ 0.334911 0.165089 0.166018 ] [ 0.665089 0.834911 0.833982 ] [ 0.665089 0.834911 0.166018 ] [ 0 0 0 ] [ 0.165089 0.665089 0.833982 ] [ 0.5 0.5 0 ] [ 0.165089 0.665089 0.166018 ] [ 0.834911 0.334911 0.166018 ] [ 0.334911 0.834911 0.333982 ] [ 0.834911 0.665089 0.333982 ] [ 0.834911 0.665089 0.666018 ] [ 0.165089 0.334911 0.333982 ] [ 0.165089 0.334911 0.666018 ] [ 0.5 0.5 0.5 ] [ 0.665089 0.165089 0.333982 ] [ 0 0 0.5 ] [ 0.665089 0.165089 0.666018 ] [ 0.334911 0.834911 0.666018 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0.37233 0.12767 0 ] [ 0.62767 0.87233 0 ] [ 0.87233 0.37233 0 ] [ 0.12767 0.62767 0 ] [ 0.87233 0.62767 0.5 ] [ 0.12767 0.37233 0.5 ] [ 0.37233 0.87233 0.5 ] [ 0.62767 0.12767 0.5 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Sb" "Sb" "Sb" "Sb" "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" 7.38867773469 "source-unit" "angstrom" } "c" { "source-value" 17.343722888 "source-unit" "angstrom" } }