{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.015208 0.115845 0.213562 ] [ 0.466926 0.630836 0.21151 ] [ 0.515208 0.884155 0.713562 ] [ 0.966926 0.369164 0.71151 ] [ 0.440212 0.357697 0.566188 ] [ 0.940212 0.642303 0.066188 ] [ 0.060579 0.851665 0.936019 ] [ 0.560579 0.148335 0.436019 ] [ 0.847664 0.05753 0.946075 ] [ 0.607127 0.255183 0.23249 ] [ 0.673224 0.550548 0.967505 ] [ 0.890055 0.759823 0.266112 ] [ 0.347664 0.94247 0.446075 ] [ 0.165628 0.445646 0.059161 ] [ 0.322077 0.941587 0.046577 ] [ 0.107127 0.744817 0.73249 ] [ 0.822077 0.058413 0.546577 ] [ 0.173224 0.449452 0.467505 ] [ 0.665628 0.554354 0.559161 ] [ 0.390055 0.240177 0.766112 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.99585117607 "source-unit" "angstrom" } "b" { "source-value" 7.90376325 "source-unit" "angstrom" } "c" { "source-value" 9.881775504 "source-unit" "angstrom" } "beta" { "source-value" 91.0152672266 "source-unit" "degree" } }