{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.154703 0.911015 0.973932 ] [ 0 0.594795 0.75 ] [ 0.154703 0.088985 0.473932 ] [ 0.845297 0.911015 0.526068 ] [ 0.845297 0.088985 0.026068 ] [ 0 0.405205 0.25 ] [ 0.654703 0.411015 0.973932 ] [ 0.5 0.094795 0.75 ] [ 0.654703 0.588985 0.473932 ] [ 0.345297 0.411015 0.526068 ] [ 0.345297 0.588985 0.026068 ] [ 0.5 0.905205 0.25 ] [ 0 0.731825 0.25 ] [ 0 0.268175 0.75 ] [ 0.5 0.231825 0.25 ] [ 0.5 0.768175 0.75 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.342114 0.861578 0.753736 ] [ 0.089134 0.824054 0.530135 ] [ 0.342114 0.138422 0.253736 ] [ 0.089134 0.175946 0.030135 ] [ 0.910866 0.175946 0.469865 ] [ 0.910866 0.824054 0.969865 ] [ 0.657886 0.861578 0.746264 ] [ 0.657886 0.138422 0.246264 ] [ 0.842114 0.361578 0.753736 ] [ 0.589134 0.324054 0.530135 ] [ 0.842114 0.638422 0.253736 ] [ 0.589134 0.675946 0.030135 ] [ 0.410866 0.675946 0.469865 ] [ 0.410866 0.324054 0.969865 ] [ 0.157886 0.361578 0.746264 ] [ 0.157886 0.638422 0.246264 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Ir" "Ir" "Ir" "Ir" "O" "O" "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" 10.832487355 "source-unit" "angstrom" } "b" { "source-value" 9.84657128211 "source-unit" "angstrom" } "c" { "source-value" 5.9923215782 "source-unit" "angstrom" } "beta" { "source-value" 104.036204925 "source-unit" "degree" } }