{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.82553 0 0.689527 ] [ 0.310473 0.17447 0 ] [ 0.82553 0 0.310473 ] [ 0.17447 0 0.310473 ] [ 0 0.689527 0.82553 ] [ 0.689527 0.82553 0 ] [ 0.310473 0.82553 0 ] [ 0 0.310473 0.17447 ] [ 0 0.689527 0.17447 ] [ 0.17447 0 0.689527 ] [ 0.689527 0.17447 0 ] [ 0 0.310473 0.82553 ] [ 0.32553 0.5 0.189527 ] [ 0.810473 0.67447 0.5 ] [ 0.32553 0.5 0.810473 ] [ 0.67447 0.5 0.810473 ] [ 0.5 0.189527 0.32553 ] [ 0.189527 0.32553 0.5 ] [ 0.810473 0.32553 0.5 ] [ 0.5 0.810473 0.67447 ] [ 0.5 0.189527 0.67447 ] [ 0.67447 0.5 0.189527 ] [ 0.189527 0.67447 0.5 ] [ 0.5 0.810473 0.32553 ] ] } "species" { "source-value" [ "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "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" 7.53811698573 "source-unit" "angstrom" } }