{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.135278 0.320723 0.5 ] [ 0.864722 0.679277 0.5 ] [ 0.679277 0.135278 0.5 ] [ 0.320723 0.864722 0.5 ] [ 0.635278 0.820723 0 ] [ 0.364722 0.179277 0 ] [ 0.179277 0.635278 0 ] [ 0.820723 0.364722 0 ] [ 0.095925 0.76503 0.5 ] [ 0.904075 0.23497 0.5 ] [ 0.23497 0.095925 0.5 ] [ 0.76503 0.904075 0.5 ] [ 0.595925 0.26503 0 ] [ 0.404075 0.73497 0 ] [ 0.73497 0.595925 0 ] [ 0.26503 0.404075 0 ] ] } "species" { "source-value" [ "U" "U" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.95355440964 "source-unit" "angstrom" } "c" { "source-value" 3.0203478923 "source-unit" "angstrom" } }