{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.766873 0.007501 0.217843 ] [ 0.766873 0.492499 0.217843 ] [ 0.233127 0.507501 0.782157 ] [ 0.233127 0.992499 0.782157 ] [ 0.233493 0.25 0.349468 ] [ 0.766507 0.75 0.650532 ] [ 0.271395 0.25 0.071638 ] [ 0.728605 0.75 0.928362 ] [ 0.290406 0.75 0.422917 ] [ 0.709594 0.25 0.577083 ] [ 0.711195 0.75 0.066648 ] [ 0.053499 0.25 0.140346 ] [ 0.470694 0.25 0.160474 ] [ 0.208402 0.930108 0.339164 ] [ 0.208402 0.569892 0.339164 ] [ 0.825906 0.25 0.427815 ] [ 0.573969 0.75 0.43864 ] [ 0.426031 0.25 0.56136 ] [ 0.174094 0.75 0.572185 ] [ 0.791598 0.430108 0.660836 ] [ 0.791598 0.069892 0.660836 ] [ 0.529306 0.75 0.839526 ] [ 0.946501 0.75 0.859654 ] [ 0.288805 0.25 0.933352 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Fe" "Fe" "C" "C" "S" "S" "O" "O" "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" 5.29941373 "source-unit" "angstrom" } "b" { "source-value" 6.69074623 "source-unit" "angstrom" } "c" { "source-value" 9.07930616 "source-unit" "angstrom" } "beta" { "source-value" 90.51715633 "source-unit" "degree" } }