{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.941054 0.75 0.23313 ] [ 0.058946 0.25 0.76687 ] [ 0.285235 0.75 0.560419 ] [ 0.714765 0.25 0.439581 ] [ 0.620383 0.75 0.911534 ] [ 0.379617 0.25 0.088466 ] [ 0.945338 0.75 0.549956 ] [ 0.054662 0.25 0.450044 ] [ 0.929722 0.75 0.949116 ] [ 0.070278 0.25 0.050884 ] [ 0.593375 0.75 0.228121 ] [ 0.406625 0.25 0.771879 ] [ 0.745402 0.25 0.725867 ] [ 0.254598 0.75 0.274133 ] [ 0.39932 0.25 0.369727 ] [ 0.60068 0.75 0.630273 ] [ 0.708193 0.25 0.133092 ] [ 0.291807 0.75 0.866908 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.7587875777 "source-unit" "angstrom" } "b" { "source-value" 4.46957081 "source-unit" "angstrom" } "c" { "source-value" 12.6620137112 "source-unit" "angstrom" } "beta" { "source-value" 100.063331331 "source-unit" "degree" } }