{ "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" [ [ 0.764885 0.491813 0.190791 ] [ 0.764885 0.008187 0.190791 ] [ 0.235115 0.508187 0.809209 ] [ 0.235115 0.991813 0.809209 ] [ 0.226449 0.25 0.344063 ] [ 0.773551 0.75 0.655937 ] [ 0.276 0.25 0.076311 ] [ 0.724 0.75 0.923689 ] [ 0.273215 0.75 0.433759 ] [ 0.726785 0.25 0.566241 ] [ 0.693299 0.75 0.061766 ] [ 0.046669 0.25 0.147361 ] [ 0.473438 0.25 0.184741 ] [ 0.203281 0.934168 0.344394 ] [ 0.203281 0.565832 0.344394 ] [ 0.862941 0.25 0.422783 ] [ 0.560329 0.75 0.467819 ] [ 0.439671 0.25 0.532181 ] [ 0.137059 0.75 0.577217 ] [ 0.796719 0.434168 0.655606 ] [ 0.796719 0.065832 0.655606 ] [ 0.526562 0.75 0.815259 ] [ 0.953331 0.75 0.852639 ] [ 0.306701 0.25 0.938234 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sn" "Sn" "B" "B" "P" "P" "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" 5.4157902 "source-unit" "angstrom" } "b" { "source-value" 6.76520707 "source-unit" "angstrom" } "c" { "source-value" 9.40690269 "source-unit" "angstrom" } "beta" { "source-value" 91.98141384 "source-unit" "degree" } }