{ "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" [ [ 0.69107 0.890653 0.902971 ] [ 0.692317 0.35967 0.914114 ] [ 0.307683 0.85967 0.585886 ] [ 0.30893 0.390653 0.597029 ] [ 0.69107 0.609347 0.402971 ] [ 0.692317 0.14033 0.414114 ] [ 0.307683 0.64033 0.085886 ] [ 0.30893 0.109347 0.097029 ] [ 0.1899 0.871827 0.32775 ] [ 0.8101 0.371827 0.17225 ] [ 0.1899 0.628173 0.82775 ] [ 0.8101 0.128173 0.67225 ] [ 0.181812 0.375979 0.364684 ] [ 0.818188 0.875979 0.135316 ] [ 0.181812 0.124021 0.864684 ] [ 0.818188 0.624021 0.635316 ] [ 0.412022 0.380131 0.41606 ] [ 0.134863 0.370169 0.268045 ] [ 0.992356 0.877656 0.090204 ] [ 0.412022 0.119869 0.91606 ] [ 0.007644 0.377656 0.409796 ] [ 0.865137 0.870169 0.231955 ] [ 0.134863 0.129831 0.768045 ] [ 0.992356 0.622344 0.590204 ] [ 0.587978 0.880131 0.08394 ] [ 0.007644 0.122344 0.909796 ] [ 0.865137 0.629831 0.731955 ] [ 0.587978 0.619869 0.58394 ] [ 0.668054 0.96271 0.727665 ] [ 0.664725 0.283142 0.73624 ] [ 0.47468 0.129908 0.566734 ] [ 0.52532 0.629908 0.933266 ] [ 0.918559 0.512823 0.084581 ] [ 0.106002 0.717353 0.415738 ] [ 0.335275 0.783142 0.76376 ] [ 0.331946 0.46271 0.772335 ] [ 0.893998 0.217353 0.084262 ] [ 0.081441 0.012823 0.415419 ] [ 0.918559 0.987177 0.584581 ] [ 0.106002 0.782647 0.915738 ] [ 0.668054 0.53729 0.227665 ] [ 0.664725 0.216858 0.23624 ] [ 0.893998 0.282647 0.584262 ] [ 0.081441 0.487177 0.915419 ] [ 0.47468 0.370092 0.066734 ] [ 0.52532 0.870092 0.433266 ] [ 0.335275 0.716858 0.26376 ] [ 0.331946 0.03729 0.272335 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.61221316 "source-unit" "angstrom" } "b" { "source-value" 8.94766329 "source-unit" "angstrom" } "c" { "source-value" 13.93136386 "source-unit" "angstrom" } "beta" { "source-value" 105.36316916 "source-unit" "degree" } }