{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.737313 0 0 ] [ 0 0.262687 0 ] [ 0 0 0.737313 ] [ 0 0 0.262687 ] [ 0.262687 0 0 ] [ 0 0.737313 0 ] [ 0.737313 0.5 0.5 ] [ 0 0.762687 0.5 ] [ 0 0.5 0.237313 ] [ 0 0.5 0.762687 ] [ 0.262687 0.5 0.5 ] [ 0 0.237313 0.5 ] [ 0.237313 0 0.5 ] [ 0.5 0.262687 0.5 ] [ 0.5 0 0.237313 ] [ 0.5 0 0.762687 ] [ 0.762687 0 0.5 ] [ 0.5 0.737313 0.5 ] [ 0.237313 0.5 0 ] [ 0.5 0.762687 0 ] [ 0.5 0.5 0.737313 ] [ 0.5 0.5 0.262687 ] [ 0.762687 0.5 0 ] [ 0.5 0.237313 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sr" "Sr" "Sr" "Sr" "La" "La" "La" "La" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.83133665456 "source-unit" "angstrom" } }