{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.865693 0.75 ] [ 0.5 0.134307 0.25 ] [ 0 0.365693 0.75 ] [ 0 0.634307 0.25 ] [ 0 0.999296 0.25 ] [ 0 0.000704 0.75 ] [ 0.5 0.499296 0.25 ] [ 0.5 0.500704 0.75 ] [ 0.704714 0.06298 0.77982 ] [ 0.295286 0.06298 0.72018 ] [ 0.295286 0.93702 0.22018 ] [ 0.704714 0.93702 0.27982 ] [ 0.884176 0.173259 0.415084 ] [ 0.115824 0.173259 0.084916 ] [ 0.115824 0.826741 0.584916 ] [ 0.884176 0.826741 0.915084 ] [ 0.204714 0.56298 0.77982 ] [ 0.795286 0.56298 0.72018 ] [ 0.795286 0.43702 0.22018 ] [ 0.204714 0.43702 0.27982 ] [ 0.384176 0.673259 0.415084 ] [ 0.615824 0.673259 0.084916 ] [ 0.615824 0.326741 0.584916 ] [ 0.384176 0.326741 0.915084 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "La" "La" "La" "La" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.5153003425 "source-unit" "angstrom" } "b" { "source-value" 15.3039232211 "source-unit" "angstrom" } "c" { "source-value" 7.56438583619 "source-unit" "angstrom" } "beta" { "source-value" 122.853665279 "source-unit" "degree" } }