{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.868579 0.75 ] [ 0.5 0.131421 0.25 ] [ 0 0.368579 0.75 ] [ 0 0.631421 0.25 ] [ 0 0.897807 0.75 ] [ 0 0.102193 0.25 ] [ 0.5 0.397807 0.75 ] [ 0.5 0.602193 0.25 ] [ 0.245848 0.96841 0.215396 ] [ 0.754152 0.96841 0.284604 ] [ 0.754152 0.03159 0.784604 ] [ 0.245848 0.03159 0.715396 ] [ 0.841092 0.789853 0.840819 ] [ 0.158908 0.789853 0.659181 ] [ 0.158908 0.210147 0.159181 ] [ 0.841092 0.210147 0.340819 ] [ 0.745848 0.46841 0.215396 ] [ 0.254152 0.46841 0.284604 ] [ 0.254152 0.53159 0.784604 ] [ 0.745848 0.53159 0.715396 ] [ 0.341092 0.289853 0.840819 ] [ 0.658908 0.289853 0.659181 ] [ 0.658908 0.710147 0.159181 ] [ 0.341092 0.710147 0.340819 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Ta" "Ta" "Ta" "Ta" "O" "O" "O" "O" "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" 7.00261729934 "source-unit" "angstrom" } "b" { "source-value" 10.997691566 "source-unit" "angstrom" } "c" { "source-value" 5.08240144702 "source-unit" "angstrom" } "beta" { "source-value" 130.835061368 "source-unit" "degree" } }