{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.719863 0.25 0.595416 ] [ 0.280137 0.75 0.404584 ] [ 0.722387 0.75 0.146086 ] [ 0.277613 0.25 0.853914 ] [ 0.801003 0.75 0.910614 ] [ 0.037374 0.75 0.639848 ] [ 0.473077 0.25 0.724056 ] [ 0.962626 0.25 0.360152 ] [ 0.526923 0.75 0.275944 ] [ 0.198997 0.25 0.089386 ] [ 0.195229 0.75 0.675982 ] [ 0.509738 0.25 0.878208 ] [ 0.106205 0.25 0.933347 ] [ 0.490262 0.75 0.121792 ] [ 0.804771 0.25 0.324018 ] [ 0.893795 0.75 0.066653 ] [ 0.075709 0.25 0.386941 ] [ 0.551462 0.75 0.385406 ] [ 0.743262 0.75 0.798536 ] [ 0.924291 0.75 0.613059 ] [ 0.256738 0.25 0.201464 ] [ 0.448538 0.25 0.614594 ] ] } "species" { "source-value" [ "Rb" "Rb" "Hg" "Hg" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.34841741 "source-unit" "angstrom" } "b" { "source-value" 4.24464607 "source-unit" "angstrom" } "c" { "source-value" 11.63861869 "source-unit" "angstrom" } "beta" { "source-value" 115.61736064 "source-unit" "degree" } }