{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.875 ] [ 0.75 0 0.125 ] [ 0.75 0.5 0.375 ] [ 0.25 0.5 0.625 ] [ 0.061232 0.5 0.303423 ] [ 0.25 0.188768 0.553423 ] [ 0.75 0.311232 0.053423 ] [ 0.938768 0 0.803423 ] [ 0.25 0.688768 0.946577 ] [ 0.061232 0 0.196577 ] [ 0.938768 0.5 0.696577 ] [ 0.75 0.811232 0.446577 ] [ 0.561232 0 0.803423 ] [ 0.75 0.688768 0.053423 ] [ 0.25 0.811232 0.553423 ] [ 0.438768 0.5 0.303423 ] [ 0.75 0.188768 0.446577 ] [ 0.561232 0.5 0.696577 ] [ 0.438768 0 0.196577 ] [ 0.25 0.311232 0.946577 ] ] } "species" { "source-value" [ "Pa" "Pa" "Pa" "Pa" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.92409029961 "source-unit" "angstrom" } "c" { "source-value" 8.19585923856 "source-unit" "angstrom" } }