{ "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 0.165969 0 ] [ 0 0.834031 0 ] [ 0.5 0.665969 0 ] [ 0.5 0.334031 0 ] [ 0.217813 0 0.233956 ] [ 0.246849 0.821472 0.768811 ] [ 0.782187 0 0.766044 ] [ 0.753151 0.178528 0.231189 ] [ 0.246849 0.178528 0.768811 ] [ 0.753151 0.821472 0.231189 ] [ 0.717813 0.5 0.233956 ] [ 0.746849 0.321472 0.768811 ] [ 0.282187 0.5 0.766044 ] [ 0.253151 0.678528 0.231189 ] [ 0.746849 0.678528 0.768811 ] [ 0.253151 0.321472 0.231189 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "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" 6.91945578086 "source-unit" "angstrom" } "b" { "source-value" 12.0190983423 "source-unit" "angstrom" } "c" { "source-value" 7.14393325422 "source-unit" "angstrom" } "beta" { "source-value" 108.359922919 "source-unit" "degree" } }