{ "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" [ [ 0.798266 0.397407 0.703971 ] [ 0.201734 0.897407 0.796029 ] [ 0.201734 0.602593 0.296029 ] [ 0.798266 0.102593 0.203971 ] [ 0.183804 0.277682 0.54735 ] [ 0.816196 0.777682 0.95265 ] [ 0.816196 0.722318 0.45265 ] [ 0.183804 0.222318 0.04735 ] [ 0.488931 0.285109 0.882621 ] [ 0.511069 0.785109 0.617379 ] [ 0.511069 0.714891 0.117379 ] [ 0.488931 0.214891 0.382621 ] [ 0.069779 0.49258 0.418524 ] [ 0.930221 0.99258 0.081476 ] [ 0.930221 0.50742 0.581476 ] [ 0.069779 0.00742 0.918524 ] [ 0.073107 0.17412 0.709678 ] [ 0.926893 0.67412 0.790322 ] [ 0.926893 0.82588 0.290322 ] [ 0.073107 0.32588 0.209678 ] [ 0 0.5 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "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" 6.38273242164 "source-unit" "angstrom" } "b" { "source-value" 5.22680836 "source-unit" "angstrom" } "c" { "source-value" 13.8223051866 "source-unit" "angstrom" } "beta" { "source-value" 95.6952823521 "source-unit" "degree" } }