{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.457866 0.300878 0.372969 ] [ 0.75 0 0.083882 ] [ 0.957866 0.199122 0.872969 ] [ 0.042134 0.300878 0.372969 ] [ 0.25 0.5 0.173532 ] [ 0.542134 0.199122 0.872969 ] [ 0.25 0 0.326468 ] [ 0.957866 0.300878 0.627031 ] [ 0.457866 0.199122 0.127031 ] [ 0.542134 0.300878 0.627031 ] [ 0.042134 0.199122 0.127031 ] [ 0.75 0.5 0.416118 ] [ 0.957866 0.800878 0.872969 ] [ 0.25 0.5 0.583882 ] [ 0.457866 0.699122 0.372969 ] [ 0.542134 0.800878 0.872969 ] [ 0.75 0 0.673532 ] [ 0.042134 0.699122 0.372969 ] [ 0.75 0.5 0.826468 ] [ 0.457866 0.800878 0.127031 ] [ 0.957866 0.699122 0.627031 ] [ 0.042134 0.800878 0.127031 ] [ 0.542134 0.699122 0.627031 ] [ 0.25 0 0.916118 ] [ 0.75 0.5 0.127349 ] [ 0.75 0 0.372651 ] [ 0.25 0 0.627349 ] [ 0.25 0.5 0.872651 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Cd" "Cd" "Cd" "Cd" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.13522918 "source-unit" "angstrom" } "b" { "source-value" 7.40155362 "source-unit" "angstrom" } "c" { "source-value" 10.20069432 "source-unit" "angstrom" } }