{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.53316 0.75 ] [ 0.25 0.46684 0.25 ] [ 0.75 0.854872 0.25 ] [ 0.25 0.145128 0.75 ] [ 0.717592 0.008232 0.076669 ] [ 0.282408 0.991768 0.923331 ] [ 0.782408 0.008232 0.423331 ] [ 0.217592 0.991768 0.576669 ] [ 0.7161 0.524276 0.996952 ] [ 0.931985 0.294338 0.781416 ] [ 0.568015 0.294338 0.718584 ] [ 0.2839 0.475724 0.003048 ] [ 0.56266 0.753146 0.714842 ] [ 0.7839 0.524276 0.503048 ] [ 0.431985 0.705662 0.281416 ] [ 0.06266 0.246854 0.214842 ] [ 0.2161 0.475724 0.496952 ] [ 0.93734 0.753146 0.785158 ] [ 0.068015 0.705662 0.218584 ] [ 0.43734 0.246854 0.285158 ] ] } "species" { "source-value" [ "Sb" "Sb" "Br" "Br" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.28053242301 "source-unit" "angstrom" } "b" { "source-value" 5.96119936 "source-unit" "angstrom" } "c" { "source-value" 7.65430896505 "source-unit" "angstrom" } "beta" { "source-value" 92.9903456279 "source-unit" "degree" } }