{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.761156 0.537332 0.251448 ] [ 0.238844 0.037332 0.248552 ] [ 0.761156 0.962668 0.751448 ] [ 0.238844 0.462668 0.748552 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.6888 0.518249 0.763621 ] [ 0.3112 0.018249 0.736379 ] [ 0.3112 0.481751 0.236379 ] [ 0.6888 0.981751 0.263621 ] [ 0.840947 0.726123 0.539979 ] [ 0.159053 0.226123 0.960021 ] [ 0.159053 0.273877 0.460021 ] [ 0.840947 0.773877 0.039979 ] [ 0.766944 0.297548 0.039753 ] [ 0.233056 0.797548 0.460247 ] [ 0.233056 0.702452 0.960247 ] [ 0.766944 0.202452 0.539753 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ce" "Ce" "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" 5.87005586 "source-unit" "angstrom" } "b" { "source-value" 5.92729114 "source-unit" "angstrom" } "c" { "source-value" 10.13968939 "source-unit" "angstrom" } "beta" { "source-value" 124.85487042 "source-unit" "degree" } }