{ "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 0.5 0 ] [ 0.238182 0.761818 0.252311 ] [ 0.261818 0.261818 0.247689 ] [ 0.738182 0.738182 0.247689 ] [ 0.761818 0.238182 0.252311 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.238182 0.761818 0.747689 ] [ 0.261818 0.261818 0.752311 ] [ 0.738182 0.738182 0.752311 ] [ 0.761818 0.238182 0.747689 ] [ 0.5 0 0 ] [ 0.5 0.5 0.385567 ] [ 0 0 0.114433 ] [ 0 0 0.885567 ] [ 0.5 0.5 0.614433 ] [ 0.11457 0.11457 0 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.38543 0.61457 0.5 ] [ 0.61457 0.38543 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.88543 0.88543 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "N" "N" "N" "N" "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" 6.46950701 "source-unit" "angstrom" } "c" { "source-value" 9.36768233 "source-unit" "angstrom" } }