{ "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" [ [ 0.63706 0 0.356969 ] [ 0 0.206055 0.5 ] [ 0 0.793945 0.5 ] [ 0 0.739461 0 ] [ 0 0.260539 0 ] [ 0.36294 0 0.643031 ] [ 0.13706 0.5 0.356969 ] [ 0.5 0.706055 0.5 ] [ 0.5 0.293945 0.5 ] [ 0.5 0.239461 0 ] [ 0.5 0.760539 0 ] [ 0.86294 0.5 0.643031 ] [ 0.823069 0 0.851153 ] [ 0.176931 0 0.148847 ] [ 0.323069 0.5 0.851153 ] [ 0.676931 0.5 0.148847 ] [ 0.897787 0 0.154277 ] [ 0.693276 0.138077 0.732477 ] [ 0.693276 0.861923 0.732477 ] [ 0.306724 0.138077 0.267523 ] [ 0.306724 0.861923 0.267523 ] [ 0.102213 0 0.845723 ] [ 0.397787 0.5 0.154277 ] [ 0.193276 0.638077 0.732477 ] [ 0.193276 0.361923 0.732477 ] [ 0.806724 0.638077 0.267523 ] [ 0.806724 0.361923 0.267523 ] [ 0.602213 0.5 0.845723 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ho" "Ho" "Ho" "Ho" "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" 7.73153389 "source-unit" "angstrom" } "b" { "source-value" 12.47814916 "source-unit" "angstrom" } "c" { "source-value" 7.29234526 "source-unit" "angstrom" } "beta" { "source-value" 99.16671058 "source-unit" "degree" } }