{ "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" [ [ 0.809445 0 0.409025 ] [ 0.614998 0 0.842084 ] [ 0.385002 0 0.157916 ] [ 0.190555 0 0.590975 ] [ 0.309445 0.5 0.409025 ] [ 0.114998 0.5 0.842084 ] [ 0.885002 0.5 0.157916 ] [ 0.690555 0.5 0.590975 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.106004 0.79855 0.182771 ] [ 0.893996 0.20145 0.817229 ] [ 0.106004 0.20145 0.182771 ] [ 0.893996 0.79855 0.817229 ] [ 0.606004 0.29855 0.182771 ] [ 0.393996 0.70145 0.817229 ] [ 0.606004 0.70145 0.182771 ] [ 0.393996 0.29855 0.817229 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Ir" "Ir" "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" 10.5783282185 "source-unit" "angstrom" } "b" { "source-value" 6.81750358149 "source-unit" "angstrom" } "c" { "source-value" 6.78438269478 "source-unit" "angstrom" } "beta" { "source-value" 108.940846814 "source-unit" "degree" } }