{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.677545 0 ] [ 0 0.322455 0 ] [ 0 0 0.677545 ] [ 0 0 0.322455 ] [ 0.677545 0 0 ] [ 0.322455 0 0 ] [ 0.5 0.177545 0.5 ] [ 0.5 0.822455 0.5 ] [ 0.5 0.5 0.177545 ] [ 0.5 0.5 0.822455 ] [ 0.177545 0.5 0.5 ] [ 0.822455 0.5 0.5 ] ] } "species" { "source-value" [ "Na" "Na" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "B" "B" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "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" 7.5914890417 "source-unit" "angstrom" } }