{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.213858 0.5 0.315259 ] [ 0.786142 0.5 0.684741 ] [ 0.713858 0 0.315259 ] [ 0.286142 0 0.684741 ] [ 0.085942 0 0.261161 ] [ 0.146421 0.5 0.550486 ] [ 0.853579 0.5 0.449514 ] [ 0.914058 0 0.738839 ] [ 0.585942 0.5 0.261161 ] [ 0.646421 0 0.550486 ] [ 0.353579 0 0.449514 ] [ 0.414058 0.5 0.738839 ] [ 0.134478 0.5 0.924445 ] [ 0.865522 0.5 0.075555 ] [ 0.634478 0 0.924445 ] [ 0.365522 0 0.075555 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "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" 13.2008891461 "source-unit" "angstrom" } "b" { "source-value" 3.97388131 "source-unit" "angstrom" } "c" { "source-value" 9.84493518884 "source-unit" "angstrom" } "beta" { "source-value" 91.6066459781 "source-unit" "degree" } }