{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.85328 0 0.862851 ] [ 0.14672 0 0.862851 ] [ 0.5 0.35328 0.862851 ] [ 0.5 0.64672 0.862851 ] [ 0 0.14672 0.137149 ] [ 0.64672 0.5 0.137149 ] [ 0.35328 0.5 0.137149 ] [ 0 0.85328 0.137149 ] [ 0.5 0 0.602539 ] [ 0 0.5 0.397461 ] [ 0 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "Br" "Br" "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" 5.84676378 "source-unit" "angstrom" } "c" { "source-value" 4.35176271 "source-unit" "angstrom" } }