{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.73154 0.26846 0.136155 ] [ 0.73154 0.73154 0.863845 ] [ 0.26846 0.26846 0.863845 ] [ 0.26846 0.73154 0.136155 ] [ 0.23154 0.76846 0.636155 ] [ 0.23154 0.23154 0.363845 ] [ 0.76846 0.76846 0.363845 ] [ 0.76846 0.23154 0.636155 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.83438793356 "source-unit" "angstrom" } "c" { "source-value" 11.2349849987 "source-unit" "angstrom" } }