{ "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" [ [ 0.764973 0.48335 0.177772 ] [ 0.764973 0.01665 0.177772 ] [ 0.235027 0.51665 0.822228 ] [ 0.235027 0.98335 0.822228 ] [ 0.22436 0.25 0.337898 ] [ 0.77564 0.75 0.662102 ] [ 0.277525 0.25 0.073484 ] [ 0.722475 0.75 0.926516 ] [ 0.271723 0.75 0.431838 ] [ 0.728277 0.25 0.568162 ] [ 0.68997 0.75 0.062892 ] [ 0.05024 0.25 0.139701 ] [ 0.470254 0.25 0.182584 ] [ 0.191428 0.944885 0.329862 ] [ 0.191428 0.555115 0.329862 ] [ 0.865279 0.25 0.408732 ] [ 0.585306 0.75 0.467979 ] [ 0.414694 0.25 0.532021 ] [ 0.134721 0.75 0.591268 ] [ 0.808572 0.444885 0.670138 ] [ 0.808572 0.055115 0.670138 ] [ 0.529746 0.75 0.817416 ] [ 0.94976 0.75 0.860299 ] [ 0.31003 0.25 0.937108 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sn" "Sn" "B" "B" "As" "As" "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" 5.52506566 "source-unit" "angstrom" } "b" { "source-value" 6.94737977 "source-unit" "angstrom" } "c" { "source-value" 9.51545982 "source-unit" "angstrom" } "beta" { "source-value" 92.81370509 "source-unit" "degree" } }