{ "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" [ [ 0.283307 0.969108 0.426246 ] [ 0.716693 0.469108 0.073754 ] [ 0.716693 0.030892 0.573754 ] [ 0.283307 0.530892 0.926246 ] [ 0.091723 0.756615 0.093089 ] [ 0.908277 0.256615 0.406911 ] [ 0.908277 0.243385 0.906911 ] [ 0.091723 0.743385 0.593089 ] [ 0.527957 0.826548 0.240295 ] [ 0.472043 0.326548 0.259705 ] [ 0.472043 0.173452 0.759705 ] [ 0.527957 0.673452 0.740295 ] [ 0.115871 0.601693 0.411923 ] [ 0.884129 0.101693 0.088077 ] [ 0.884129 0.398307 0.588077 ] [ 0.115871 0.898307 0.911923 ] [ 0.593148 0.646153 0.373847 ] [ 0.406852 0.146153 0.126153 ] [ 0.406852 0.353847 0.626153 ] [ 0.593148 0.853847 0.873847 ] [ 0.89472 0.885877 0.353341 ] [ 0.10528 0.385877 0.146659 ] [ 0.10528 0.114123 0.646659 ] [ 0.89472 0.614123 0.853341 ] [ 0.530283 0.92944 0.412282 ] [ 0.469717 0.42944 0.087718 ] [ 0.469717 0.07056 0.587718 ] [ 0.530283 0.57056 0.912282 ] [ 0.276704 0.840127 0.243833 ] [ 0.723296 0.340127 0.256167 ] [ 0.723296 0.159873 0.756167 ] [ 0.276704 0.659873 0.743833 ] [ 0.286597 0.661234 0.0633 ] [ 0.713403 0.161234 0.4367 ] [ 0.713403 0.338766 0.9367 ] [ 0.286597 0.838766 0.5633 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.13797957566 "source-unit" "angstrom" } "b" { "source-value" 11.41440987 "source-unit" "angstrom" } "c" { "source-value" 9.68551931552 "source-unit" "angstrom" } "beta" { "source-value" 103.862753426 "source-unit" "degree" } }