{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.972631 0.450326 ] [ 0.75 0.027369 0.549674 ] [ 0.75 0.472631 0.049674 ] [ 0.25 0.527369 0.950326 ] [ 0.25 0.074735 0.909187 ] [ 0.75 0.925265 0.090813 ] [ 0.75 0.574735 0.590813 ] [ 0.25 0.425265 0.409187 ] [ 0.25 0.715446 0.269771 ] [ 0.75 0.284554 0.730229 ] [ 0.75 0.215446 0.230229 ] [ 0.25 0.784554 0.769771 ] [ 0.25 0.388959 0.143875 ] [ 0.75 0.611041 0.856125 ] [ 0.75 0.888959 0.356125 ] [ 0.25 0.111041 0.643875 ] [ 0.25 0.392337 0.826184 ] [ 0.75 0.607663 0.173816 ] [ 0.75 0.892337 0.673816 ] [ 0.25 0.107663 0.326184 ] [ 0.25 0.499876 0.676171 ] [ 0.75 0.500124 0.323829 ] [ 0.75 0.999876 0.823829 ] [ 0.25 0.000124 0.176171 ] [ 0.25 0.304161 0.531304 ] [ 0.75 0.695839 0.468696 ] [ 0.75 0.804161 0.968696 ] [ 0.25 0.195839 0.031304 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.73721068 "source-unit" "angstrom" } "b" { "source-value" 5.83717515 "source-unit" "angstrom" } "c" { "source-value" 19.03078613 "source-unit" "angstrom" } }