{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.188752 0.810114 ] [ 0.311248 0.5 0.810114 ] [ 0.5 0.688752 0.189886 ] [ 0.188752 0 0.189886 ] [ 0.811248 0 0.189886 ] [ 0.5 0.311248 0.189886 ] [ 0 0.811248 0.810114 ] [ 0.688752 0.5 0.810114 ] [ 0 0.5 0.405164 ] [ 0.5 0 0.594836 ] ] } "species" { "source-value" [ "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 6.0912998 "source-unit" "angstrom" } "c" { "source-value" 4.36920798 "source-unit" "angstrom" } }