{ "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" [ [ 0.864418 0 0.95048 ] [ 0.135582 0 0.04952 ] [ 0.364418 0.5 0.95048 ] [ 0.635582 0.5 0.04952 ] [ 0.062221 0 0.408927 ] [ 0.912842 0.5 0.373964 ] [ 0.937779 0 0.591073 ] [ 0.190874 0.5 0.454201 ] [ 0.087158 0.5 0.626036 ] [ 0.809126 0.5 0.545799 ] [ 0.562221 0.5 0.408927 ] [ 0.412842 0 0.373964 ] [ 0.437779 0.5 0.591073 ] [ 0.690874 0 0.454201 ] [ 0.587158 0 0.626036 ] [ 0.309126 0 0.545799 ] [ 0.79959 0 0.302804 ] [ 0.020245 0.5 0.224225 ] [ 0.979755 0.5 0.775775 ] [ 0.20041 0 0.697196 ] [ 0.29959 0.5 0.302804 ] [ 0.520245 0 0.224225 ] [ 0.479755 0 0.775775 ] [ 0.70041 0.5 0.697196 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 17.7887155069 "source-unit" "angstrom" } "b" { "source-value" 4.65652893 "source-unit" "angstrom" } "c" { "source-value" 9.37912878681 "source-unit" "angstrom" } "beta" { "source-value" 112.851579298 "source-unit" "degree" } }