{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.006657 0.537923 0.749181 ] [ 0.506657 0.962077 0.249181 ] [ 0.493343 0.037923 0.750819 ] [ 0.993343 0.462077 0.250819 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.552074 0.495946 0.740806 ] [ 0.298931 0.780025 0.523584 ] [ 0.947926 0.995946 0.759194 ] [ 0.798931 0.719975 0.023584 ] [ 0.701069 0.219975 0.476416 ] [ 0.447926 0.504054 0.259194 ] [ 0.778446 0.702892 0.471717 ] [ 0.278446 0.797108 0.971717 ] [ 0.052074 0.004054 0.240806 ] [ 0.221554 0.297108 0.528283 ] [ 0.201069 0.280025 0.976416 ] [ 0.721554 0.202892 0.028283 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sn" "Sn" "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" 7.64554622811 "source-unit" "angstrom" } "b" { "source-value" 7.6805608 "source-unit" "angstrom" } "c" { "source-value" 10.8889094176 "source-unit" "angstrom" } "beta" { "source-value" 90.1621727743 "source-unit" "degree" } }