{ "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 0.884055 ] [ 0 0 0.115945 ] [ 0.5 0.5 0.384055 ] [ 0.5 0.5 0.615945 ] [ 0.5 0.5 0.156804 ] [ 0.5 0.5 0.843196 ] [ 0 0 0.656804 ] [ 0 0 0.343196 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "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" 4.9605860914 "source-unit" "angstrom" } "c" { "source-value" 11.3365084426 "source-unit" "angstrom" } }