{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.782528 0 ] [ 0.782528 0.5 0 ] [ 0.217472 0.5 0 ] [ 0.5 0.217472 0 ] [ 0 0.717472 0 ] [ 0.717472 0 0 ] [ 0.282528 0 0 ] [ 0 0.282528 0 ] [ 0.612963 0.887037 0.128155 ] [ 0.887037 0.387037 0.128155 ] [ 0.112963 0.612963 0.128155 ] [ 0.387037 0.112963 0.128155 ] [ 0.387037 0.887037 0.871845 ] [ 0.612963 0.112963 0.871845 ] [ 0.887037 0.612963 0.871845 ] [ 0.112963 0.387037 0.871845 ] [ 0.292726 0.44026 0.232838 ] [ 0.44026 0.707274 0.232838 ] [ 0.55974 0.292726 0.232838 ] [ 0.707274 0.55974 0.232838 ] [ 0.707274 0.44026 0.767162 ] [ 0.292726 0.55974 0.767162 ] [ 0.44026 0.292726 0.767162 ] [ 0.55974 0.707274 0.767162 ] [ 0.207274 0.05974 0.767162 ] [ 0.05974 0.792726 0.767162 ] [ 0.94026 0.207274 0.767162 ] [ 0.792726 0.94026 0.767162 ] [ 0.792726 0.05974 0.232838 ] [ 0.207274 0.94026 0.232838 ] [ 0.05974 0.207274 0.232838 ] [ 0.94026 0.792726 0.232838 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ca" "Ca" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.77702684 "source-unit" "angstrom" } "c" { "source-value" 5.00971491 "source-unit" "angstrom" } }