{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0.231077 ] [ 0.5 0 0.019131 ] [ 0.5 0.5 0.768923 ] [ 0 0.5 0.980869 ] [ 0 0 0.731077 ] [ 0 0.5 0.519131 ] [ 0 0 0.268923 ] [ 0.5 0 0.480869 ] ] } "species" { "source-value" [ "Cd" "Cd" "Ga" "Ga" "Ga" "Ga" "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" 5.58710748048 "source-unit" "angstrom" } "c" { "source-value" 10.6467707918 "source-unit" "angstrom" } }