{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.954426 0.862237 0.601719 ] [ 0.545574 0.362237 0.398281 ] [ 0.045574 0.137763 0.398281 ] [ 0.454426 0.637763 0.601719 ] [ 0.187962 0.948656 0.789554 ] [ 0.312038 0.448656 0.210446 ] [ 0.812038 0.051344 0.210446 ] [ 0.687962 0.551344 0.789554 ] [ 0.159889 0.860126 0.334273 ] [ 0.340111 0.360126 0.665727 ] [ 0.840111 0.139874 0.665727 ] [ 0.659889 0.639874 0.334273 ] [ 0.508926 0.856504 0.945408 ] [ 0.991074 0.356504 0.054592 ] [ 0.491074 0.143496 0.054592 ] [ 0.008926 0.643496 0.945408 ] ] } "species" { "source-value" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 5.31824551498 "source-unit" "angstrom" } "b" { "source-value" 15.24108681 "source-unit" "angstrom" } "c" { "source-value" 7.70196455576 "source-unit" "angstrom" } "beta" { "source-value" 95.5628588058 "source-unit" "degree" } }