{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm-3n" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.27312 0 ] [ 0 0.72688 0 ] [ 0 0 0.27312 ] [ 0 0 0.72688 ] [ 0.27312 0 0 ] [ 0.72688 0 0 ] [ 0.5 0.22688 0.5 ] [ 0.5 0.77312 0.5 ] [ 0.5 0.5 0.22688 ] [ 0.5 0.5 0.77312 ] [ 0.22688 0.5 0.5 ] [ 0.77312 0.5 0.5 ] [ 0.5 0.25 0 ] [ 0.5 0.75 0 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.25 0 0.5 ] [ 0.75 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Y" "Y" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 8.16489053 "source-unit" "angstrom" } }