{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.768551 0 0 ] [ 0 0 0.768551 ] [ 0 0 0.231449 ] [ 0 0.231449 0 ] [ 0.231449 0 0 ] [ 0 0.768551 0 ] [ 0.768551 0.5 0.5 ] [ 0 0.5 0.268551 ] [ 0 0.5 0.731449 ] [ 0 0.731449 0.5 ] [ 0.231449 0.5 0.5 ] [ 0 0.268551 0.5 ] [ 0.268551 0 0.5 ] [ 0.5 0 0.268551 ] [ 0.5 0 0.731449 ] [ 0.5 0.231449 0.5 ] [ 0.731449 0 0.5 ] [ 0.5 0.768551 0.5 ] [ 0.268551 0.5 0 ] [ 0.5 0.5 0.768551 ] [ 0.5 0.5 0.231449 ] [ 0.5 0.731449 0 ] [ 0.731449 0.5 0 ] [ 0.5 0.268551 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Pr" "Pr" "Pr" "Pr" "Sb" "Sb" "Sb" "Sb" "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" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 8.71232609564 "source-unit" "angstrom" } }