{ "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" [ [ 0.234955 0.495937 0.210045 ] [ 0.234955 0.004063 0.210045 ] [ 0.765045 0.504063 0.789955 ] [ 0.765045 0.995937 0.789955 ] [ 0.766553 0.75 0.374031 ] [ 0.233447 0.25 0.625969 ] [ 0.736831 0.75 0.082664 ] [ 0.263169 0.25 0.917336 ] [ 0.731934 0.25 0.393521 ] [ 0.268066 0.75 0.606479 ] [ 0.266144 0.25 0.051882 ] [ 0.945705 0.75 0.16149 ] [ 0.536602 0.75 0.156306 ] [ 0.859399 0.081217 0.33694 ] [ 0.859399 0.418783 0.33694 ] [ 0.245167 0.75 0.4452 ] [ 0.470331 0.25 0.346614 ] [ 0.529669 0.75 0.653386 ] [ 0.754833 0.25 0.5548 ] [ 0.140601 0.581217 0.66306 ] [ 0.140601 0.918783 0.66306 ] [ 0.463398 0.25 0.843694 ] [ 0.054295 0.25 0.83851 ] [ 0.733856 0.75 0.948118 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sn" "Sn" "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" 5.47659538 "source-unit" "angstrom" } "b" { "source-value" 7.10661151 "source-unit" "angstrom" } "c" { "source-value" 9.37947083 "source-unit" "angstrom" } "beta" { "source-value" 92.66987168 "source-unit" "degree" } }