{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.690442 0.320042 0.036406 ] [ 0.809558 0.820042 0.463594 ] [ 0.309558 0.679958 0.963594 ] [ 0.190442 0.179958 0.536406 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.741546 0.476159 0.888723 ] [ 0.758454 0.976159 0.611277 ] [ 0.258454 0.523841 0.111277 ] [ 0.241546 0.023841 0.388723 ] [ 0.792877 0.902241 0.159667 ] [ 0.707123 0.402241 0.340333 ] [ 0.14237 0.342521 0.685725 ] [ 0.35763 0.842521 0.814275 ] [ 0.85763 0.657479 0.314275 ] [ 0.64237 0.157479 0.185725 ] [ 0.161338 0.265655 0.249423 ] [ 0.338662 0.765655 0.250577 ] [ 0.838662 0.734345 0.750577 ] [ 0.661338 0.234345 0.749423 ] [ 0.292877 0.597759 0.659667 ] [ 0.207123 0.097759 0.840333 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.59707679686 "source-unit" "angstrom" } "b" { "source-value" 10.9413356 "source-unit" "angstrom" } "c" { "source-value" 5.9370463775 "source-unit" "angstrom" } "beta" { "source-value" 92.1368564298 "source-unit" "degree" } }