{ "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" [ [ 0.25 0 0.5 ] [ 0 0.25 0.5 ] [ 0.5 0.25 0 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.25 0.5 0 ] [ 0.160792 0.160792 0.160792 ] [ 0.839208 0.160792 0.160792 ] [ 0.160792 0.839208 0.160792 ] [ 0.160792 0.160792 0.839208 ] [ 0.839208 0.160792 0.839208 ] [ 0.839208 0.839208 0.160792 ] [ 0.160792 0.839208 0.839208 ] [ 0.839208 0.839208 0.839208 ] [ 0.75 0.5 0 ] [ 0.5 0.75 0 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.75 0 0.5 ] [ 0.660792 0.660792 0.660792 ] [ 0.339208 0.660792 0.660792 ] [ 0.660792 0.339208 0.660792 ] [ 0.660792 0.660792 0.339208 ] [ 0.339208 0.660792 0.339208 ] [ 0.339208 0.339208 0.660792 ] [ 0.660792 0.339208 0.339208 ] [ 0.339208 0.339208 0.339208 ] [ 0.3422 0 0 ] [ 0 0.3422 0 ] [ 0 0.6578 0 ] [ 0 0 0.6578 ] [ 0 0 0.3422 ] [ 0.6578 0 0 ] [ 0.8422 0.5 0.5 ] [ 0.5 0.8422 0.5 ] [ 0.5 0.1578 0.5 ] [ 0.5 0.5 0.1578 ] [ 0.5 0.5 0.8422 ] [ 0.1578 0.5 0.5 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "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" 9.66466741141 "source-unit" "angstrom" } }