{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.16442 0.5 ] [ 0 0.83558 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.66442 0.5 ] [ 0.5 0.33558 0.5 ] [ 0 0.3326 0 ] [ 0 0.6674 0 ] [ 0.5 0.8326 0 ] [ 0.5 0.1674 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.218707 0 0.795221 ] [ 0.781293 0 0.204779 ] [ 0.785345 0.85559 0.785331 ] [ 0.214655 0.85559 0.214669 ] [ 0.785345 0.14441 0.785331 ] [ 0.214655 0.14441 0.214669 ] [ 0.718707 0.5 0.795221 ] [ 0.281293 0.5 0.204779 ] [ 0.285345 0.35559 0.785331 ] [ 0.714655 0.35559 0.214669 ] [ 0.285345 0.64441 0.785331 ] [ 0.714655 0.64441 0.214669 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cd" "Cd" "Cd" "Cd" "Ir" "Ir" "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" 5.79463687 "source-unit" "angstrom" } "b" { "source-value" 9.99580332 "source-unit" "angstrom" } "c" { "source-value" 5.73982254 "source-unit" "angstrom" } "beta" { "source-value" 110.32719677 "source-unit" "degree" } }