{ "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" [ [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.928601 0.80988 0.932787 ] [ 0.071399 0.80988 0.567213 ] [ 0.071399 0.19012 0.067213 ] [ 0.928601 0.19012 0.432787 ] [ 0.428601 0.30988 0.932787 ] [ 0.571399 0.30988 0.567213 ] [ 0.571399 0.69012 0.067213 ] [ 0.428601 0.69012 0.432787 ] [ 0.20379 0.060876 0.837316 ] [ 0.79621 0.060876 0.662684 ] [ 0 0.877326 0.25 ] [ 0 0.122674 0.75 ] [ 0.910323 0.403265 0.101032 ] [ 0.089677 0.403265 0.398968 ] [ 0.089677 0.596735 0.898968 ] [ 0.910323 0.596735 0.601032 ] [ 0.20379 0.939124 0.337316 ] [ 0.79621 0.939124 0.162684 ] [ 0.70379 0.560876 0.837316 ] [ 0.29621 0.560876 0.662684 ] [ 0.5 0.377326 0.25 ] [ 0.5 0.622674 0.75 ] [ 0.410323 0.903265 0.101032 ] [ 0.589677 0.903265 0.398968 ] [ 0.589677 0.096735 0.898968 ] [ 0.410323 0.096735 0.601032 ] [ 0.70379 0.439124 0.337316 ] [ 0.29621 0.439124 0.162684 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.33456259 "source-unit" "angstrom" } "b" { "source-value" 6.80222303 "source-unit" "angstrom" } "c" { "source-value" 7.78500344 "source-unit" "angstrom" } "beta" { "source-value" 91.19365508 "source-unit" "degree" } }