{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.654672 0 ] [ 0.654672 0 0 ] [ 0.345328 0 0 ] [ 0 0.345328 0 ] [ 0 0.216901 0.5 ] [ 0.216901 0 0.5 ] [ 0.783099 0 0.5 ] [ 0 0.783099 0.5 ] [ 0.5 0.154672 0.5 ] [ 0.154672 0.5 0.5 ] [ 0.845328 0.5 0.5 ] [ 0.5 0.845328 0.5 ] [ 0.5 0.716901 0 ] [ 0.716901 0.5 0 ] [ 0.283099 0.5 0 ] [ 0.5 0.283099 0 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 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 ] ] } "species" { "source-value" [ "Np" "Np" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.81430921945 "source-unit" "angstrom" } "c" { "source-value" 5.0816608648 "source-unit" "angstrom" } }