{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.061043 0.757925 0 ] [ 0.938957 0.242075 0 ] [ 0.757925 0.938957 0 ] [ 0.242075 0.061043 0 ] [ 0.561043 0.257925 0.5 ] [ 0.438957 0.742075 0.5 ] [ 0.257925 0.438957 0.5 ] [ 0.742075 0.561043 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "W" "W" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 9.99381403135 "source-unit" "angstrom" } "c" { "source-value" 3.84518446037 "source-unit" "angstrom" } }