{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.037874 0.75 0.363618 ] [ 0.037874 0.25 0.136382 ] [ 0.962126 0.25 0.636382 ] [ 0.962126 0.75 0.863618 ] [ 0.170036 0.75 0.758257 ] [ 0.170036 0.25 0.741743 ] [ 0.829964 0.25 0.241743 ] [ 0.829964 0.75 0.258257 ] [ 0.753866 0.958856 0.868281 ] [ 0.753866 0.041144 0.631719 ] [ 0.246134 0.458856 0.131719 ] [ 0.246134 0.541144 0.368281 ] [ 0.246134 0.041144 0.131719 ] [ 0.246134 0.958856 0.368281 ] [ 0.753866 0.541144 0.868281 ] [ 0.753866 0.458856 0.631719 ] [ 0.483643 0.75 0.613249 ] [ 0.483643 0.25 0.886751 ] [ 0.516357 0.25 0.386751 ] [ 0.516357 0.75 0.113249 ] [ 0.812034 0.75 0.463591 ] [ 0.812034 0.25 0.036409 ] [ 0.187966 0.25 0.536409 ] [ 0.187966 0.75 0.963591 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 5.97971829 "source-unit" "angstrom" } "b" { "source-value" 8.79649173 "source-unit" "angstrom" } "c" { "source-value" 17.40530311 "source-unit" "angstrom" } }