{ "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" [ [ 0.759467 0.25 0.076309 ] [ 0.253545 0.007593 0.249159 ] [ 0.253545 0.492407 0.249159 ] [ 0.746455 0.507593 0.750841 ] [ 0.746455 0.992407 0.750841 ] [ 0.240533 0.75 0.923691 ] [ 0.707034 0.25 0.417312 ] [ 0.292966 0.75 0.582688 ] [ 0.732674 0.75 0.059196 ] [ 0.267326 0.25 0.940804 ] [ 0.783164 0.75 0.341827 ] [ 0.216836 0.25 0.658173 ] [ 0.28724 0.25 0.085747 ] [ 0.964861 0.75 0.137041 ] [ 0.524367 0.75 0.154045 ] [ 0.793691 0.061846 0.315974 ] [ 0.793691 0.438154 0.315974 ] [ 0.398347 0.25 0.436608 ] [ 0.161332 0.75 0.41914 ] [ 0.838668 0.25 0.58086 ] [ 0.601653 0.75 0.563392 ] [ 0.206309 0.561846 0.684026 ] [ 0.206309 0.938154 0.684026 ] [ 0.475633 0.25 0.845955 ] [ 0.035139 0.25 0.862959 ] [ 0.71276 0.75 0.914253 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "B" "B" "Sb" "Sb" "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" 5.32460169 "source-unit" "angstrom" } "b" { "source-value" 6.83999765 "source-unit" "angstrom" } "c" { "source-value" 9.18799344 "source-unit" "angstrom" } "beta" { "source-value" 90.58674668 "source-unit" "degree" } }