{ "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" [ [ 0.246889 0.014353 0.22847 ] [ 0.246889 0.485647 0.22847 ] [ 0.753111 0.514353 0.77153 ] [ 0.753111 0.985647 0.77153 ] [ 0.781094 0.75 0.368381 ] [ 0.218906 0.25 0.631619 ] [ 0.71669 0.25 0.424357 ] [ 0.28331 0.75 0.575643 ] [ 0.725384 0.75 0.095551 ] [ 0.274616 0.25 0.904449 ] [ 0.289799 0.25 0.030694 ] [ 0.926645 0.75 0.166655 ] [ 0.545077 0.75 0.170754 ] [ 0.78743 0.071642 0.343203 ] [ 0.78743 0.428358 0.343203 ] [ 0.158622 0.75 0.4309 ] [ 0.451191 0.25 0.439129 ] [ 0.548809 0.75 0.560871 ] [ 0.841378 0.25 0.5691 ] [ 0.21257 0.571642 0.656797 ] [ 0.21257 0.928358 0.656797 ] [ 0.454923 0.25 0.829246 ] [ 0.073355 0.25 0.833345 ] [ 0.710201 0.75 0.969306 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sn" "Sn" "P" "P" "C" "C" "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" 5.82614458 "source-unit" "angstrom" } "b" { "source-value" 7.06317541 "source-unit" "angstrom" } "c" { "source-value" 9.92127909 "source-unit" "angstrom" } "beta" { "source-value" 93.46513136 "source-unit" "degree" } }