{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.107682 0.740236 0.8807 ] [ 0.740236 0.892318 0.8807 ] [ 0.259764 0.107682 0.8807 ] [ 0.892318 0.259764 0.8807 ] [ 0.892318 0.740236 0.1193 ] [ 0.107682 0.259764 0.1193 ] [ 0.740236 0.107682 0.1193 ] [ 0.259764 0.892318 0.1193 ] [ 0.392318 0.759764 0.1193 ] [ 0.759764 0.607682 0.1193 ] [ 0.240236 0.392318 0.1193 ] [ 0.607682 0.240236 0.1193 ] [ 0.607682 0.759764 0.8807 ] [ 0.392318 0.240236 0.8807 ] [ 0.759764 0.392318 0.8807 ] [ 0.240236 0.607682 0.8807 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.197166 0.697166 0.985878 ] [ 0.697166 0.802834 0.985878 ] [ 0.302834 0.197166 0.985878 ] [ 0.802834 0.302834 0.985878 ] [ 0.802834 0.697166 0.014122 ] [ 0.197166 0.302834 0.014122 ] [ 0.697166 0.197166 0.014122 ] [ 0.302834 0.802834 0.014122 ] ] } "species" { "source-value" [ "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Br" "Br" "N" "N" "N" "N" "N" "N" "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" 9.2231467 "source-unit" "angstrom" } "c" { "source-value" 4.41487031 "source-unit" "angstrom" } }