{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0 0 0.294232 ] [ 0 0 0.705768 ] [ 0.757186 0.242814 0 ] [ 0.757186 0.757186 0 ] [ 0.242814 0.242814 0 ] [ 0.242814 0.757186 0 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0.794232 ] [ 0.5 0.5 0.205768 ] [ 0.257186 0.742814 0.5 ] [ 0.257186 0.257186 0.5 ] [ 0.742814 0.742814 0.5 ] [ 0.742814 0.257186 0.5 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.69629265238 "source-unit" "angstrom" } "c" { "source-value" 6.23110561268 "source-unit" "angstrom" } }