{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.292073 0 0 ] [ 0 0.292073 0 ] [ 0 0.707927 0 ] [ 0.707927 0 0 ] [ 0 0 0.707927 ] [ 0 0 0.292073 ] [ 0.792073 0.5 0.5 ] [ 0.5 0.792073 0.5 ] [ 0.5 0.207927 0.5 ] [ 0.207927 0.5 0.5 ] [ 0.5 0.5 0.207927 ] [ 0.5 0.5 0.792073 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0 0.666065 0.333935 ] [ 0.666065 0.333935 0 ] [ 0.333935 0.666065 0 ] [ 0.666065 0 0.333935 ] [ 0.166065 0.166065 0.5 ] [ 0 0.333935 0.666065 ] [ 0.833935 0.833935 0.5 ] [ 0.333935 0 0.666065 ] [ 0.833935 0.5 0.833935 ] [ 0.5 0.833935 0.833935 ] [ 0.5 0.166065 0.166065 ] [ 0.166065 0.5 0.166065 ] [ 0.5 0.166065 0.833935 ] [ 0.166065 0.833935 0.5 ] [ 0.833935 0.166065 0.5 ] [ 0.166065 0.5 0.833935 ] [ 0.666065 0.666065 0 ] [ 0.5 0.833935 0.166065 ] [ 0.333935 0.333935 0 ] [ 0.833935 0.5 0.166065 ] [ 0.333935 0 0.333935 ] [ 0 0.333935 0.333935 ] [ 0 0.666065 0.666065 ] [ 0.666065 0 0.666065 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 9.01037792011 "source-unit" "angstrom" } }