{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.412586 0.25 0.54615 ] [ 0.912586 0.25 0.95385 ] [ 0.587414 0.75 0.45385 ] [ 0.087414 0.75 0.04615 ] [ 0.411083 0.021125 0.828178 ] [ 0.911083 0.478875 0.671822 ] [ 0.588917 0.521125 0.171822 ] [ 0.088917 0.978875 0.328178 ] [ 0.588917 0.978875 0.171822 ] [ 0.088917 0.521125 0.328178 ] [ 0.411083 0.478875 0.828178 ] [ 0.911083 0.021125 0.671822 ] [ 0.309871 0.25 0.108537 ] [ 0.809871 0.25 0.391463 ] [ 0.690129 0.75 0.891463 ] [ 0.190129 0.75 0.608537 ] [ 0.36468 0.25 0.280519 ] [ 0.86468 0.25 0.219481 ] [ 0.63532 0.75 0.719481 ] [ 0.13532 0.75 0.780519 ] [ 0.034081 0.25 0.485946 ] [ 0.534081 0.25 0.014054 ] [ 0.965919 0.75 0.514054 ] [ 0.465919 0.75 0.985946 ] [ 0.160336 0.25 0.765555 ] [ 0.660336 0.25 0.734445 ] [ 0.839664 0.75 0.234445 ] [ 0.339664 0.75 0.265555 ] [ 0.185935 0.058339 0.064103 ] [ 0.685935 0.441661 0.435897 ] [ 0.814065 0.558339 0.935897 ] [ 0.314065 0.941661 0.564103 ] [ 0.814065 0.941661 0.935897 ] [ 0.314065 0.558339 0.564103 ] [ 0.185935 0.441661 0.064103 ] [ 0.685935 0.058339 0.435897 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Zn" "Zn" "Zn" "Zn" "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" 9.30313046 "source-unit" "angstrom" } "b" { "source-value" 10.66684814 "source-unit" "angstrom" } "c" { "source-value" 13.77183682 "source-unit" "angstrom" } }