{ "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" [ [ 0.751157 0 0.75435 ] [ 0.748843 0.5 0.24565 ] [ 0.251157 0.5 0.75435 ] [ 0.248843 0 0.24565 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.77267 0.5 0.7217 ] [ 0.72733 0 0.2783 ] [ 0.974738 0.727086 0.205293 ] [ 0.525262 0.772914 0.794707 ] [ 0.974738 0.272914 0.205293 ] [ 0.525262 0.227086 0.794707 ] [ 0.27267 0 0.7217 ] [ 0.22733 0.5 0.2783 ] [ 0.474738 0.227086 0.205293 ] [ 0.025262 0.272914 0.794707 ] [ 0.474738 0.772914 0.205293 ] [ 0.025262 0.727086 0.794707 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "La" "La" "Ru" "Ru" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.5564369743 "source-unit" "angstrom" } "b" { "source-value" 6.08197042714 "source-unit" "angstrom" } "c" { "source-value" 6.15128764159 "source-unit" "angstrom" } "beta" { "source-value" 125.218805406 "source-unit" "degree" } }