{ "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 0.341868 0 ] [ 0.341868 0 0 ] [ 0.658132 0 0 ] [ 0 0.658132 0 ] [ 0 0.783211 0.5 ] [ 0.783211 0 0.5 ] [ 0.216789 0 0.5 ] [ 0 0.216789 0.5 ] [ 0.5 0.841868 0.5 ] [ 0.841868 0.5 0.5 ] [ 0.158132 0.5 0.5 ] [ 0.5 0.158132 0.5 ] [ 0.5 0.283211 0 ] [ 0.283211 0.5 0 ] [ 0.716789 0.5 0 ] [ 0.5 0.716789 0 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "species" { "source-value" [ "U" "U" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.87146697918 "source-unit" "angstrom" } "c" { "source-value" 4.99818369942 "source-unit" "angstrom" } }