{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.946245 ] [ 0.5 0.5 0.446245 ] [ 0.5 0.5 0.860944 ] [ 0 0 0.360944 ] [ 0.5 0.5 0.04281 ] [ 0 0 0.54281 ] ] } "species" { "source-value" [ "Ca" "Ca" "H" "H" "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" 3.5450956277 "source-unit" "angstrom" } "c" { "source-value" 5.6976544861 "source-unit" "angstrom" } }