{ "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" [ [ 0.004318 0 0.753436 ] [ 0.995682 0 0.246564 ] [ 0.504318 0.5 0.753436 ] [ 0.495682 0.5 0.246564 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.058034 0.5 0.314943 ] [ 0.941966 0.5 0.685057 ] [ 0.742863 0.244247 0.773673 ] [ 0.257137 0.244247 0.226327 ] [ 0.257137 0.755753 0.226327 ] [ 0.742863 0.755753 0.773673 ] [ 0.558034 0 0.314943 ] [ 0.441966 0 0.685057 ] [ 0.242863 0.744247 0.773673 ] [ 0.757137 0.744247 0.226327 ] [ 0.757137 0.255753 0.226327 ] [ 0.242863 0.255753 0.773673 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sc" "Sc" "Ir" "Ir" "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" 9.88812499678 "source-unit" "angstrom" } "b" { "source-value" 5.68746835 "source-unit" "angstrom" } "c" { "source-value" 8.03429150843 "source-unit" "angstrom" } "beta" { "source-value" 144.537657711 "source-unit" "degree" } }