{ "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" [ [ 0.758486 0.25 0.076381 ] [ 0.250188 0.007522 0.246054 ] [ 0.250188 0.492478 0.246054 ] [ 0.749812 0.507522 0.753946 ] [ 0.749812 0.992478 0.753946 ] [ 0.241514 0.75 0.923619 ] [ 0.704094 0.25 0.414304 ] [ 0.295906 0.75 0.585696 ] [ 0.778846 0.75 0.346217 ] [ 0.221154 0.25 0.653783 ] [ 0.735151 0.75 0.056242 ] [ 0.264849 0.25 0.943758 ] [ 0.290518 0.25 0.087289 ] [ 0.966891 0.75 0.129219 ] [ 0.524526 0.75 0.148567 ] [ 0.797037 0.068765 0.314934 ] [ 0.797037 0.431235 0.314934 ] [ 0.397093 0.25 0.426181 ] [ 0.182581 0.75 0.420493 ] [ 0.817419 0.25 0.579507 ] [ 0.602907 0.75 0.573819 ] [ 0.202963 0.568765 0.685066 ] [ 0.202963 0.931235 0.685066 ] [ 0.475474 0.25 0.851433 ] [ 0.033109 0.25 0.870781 ] [ 0.709482 0.75 0.912711 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Bi" "Bi" "B" "B" "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" 5.37527361 "source-unit" "angstrom" } "b" { "source-value" 7.01833432 "source-unit" "angstrom" } "c" { "source-value" 9.3012289 "source-unit" "angstrom" } "beta" { "source-value" 90.50934896 "source-unit" "degree" } }