{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-43n" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0 0.25 0.5 ] [ 0 0 0 ] [ 0.25 0.5 0 ] [ 0.5 0 0.75 ] [ 0 0.75 0.5 ] [ 0.610515 0.892646 0.641247 ] [ 0.107354 0.358753 0.610515 ] [ 0.392646 0.889485 0.858753 ] [ 0.608899 0.391101 0.608899 ] [ 0.891101 0.108899 0.108899 ] [ 0.610515 0.107354 0.358753 ] [ 0.607354 0.110515 0.858753 ] [ 0.110515 0.858753 0.607354 ] [ 0.108899 0.108899 0.891101 ] [ 0.141247 0.607354 0.889485 ] [ 0.892646 0.358753 0.389485 ] [ 0.141247 0.392646 0.110515 ] [ 0.108899 0.891101 0.108899 ] [ 0.358753 0.610515 0.107354 ] [ 0.389485 0.892646 0.358753 ] [ 0.107354 0.641247 0.389485 ] [ 0.391101 0.608899 0.608899 ] [ 0.889485 0.858753 0.392646 ] [ 0.641247 0.610515 0.892646 ] [ 0.358753 0.389485 0.892646 ] [ 0.858753 0.392646 0.889485 ] [ 0.607354 0.889485 0.141247 ] [ 0.391101 0.391101 0.391101 ] [ 0.608899 0.608899 0.391101 ] [ 0.641247 0.389485 0.107354 ] [ 0.889485 0.141247 0.607354 ] [ 0.110515 0.141247 0.392646 ] [ 0.389485 0.107354 0.641247 ] [ 0.858753 0.607354 0.110515 ] [ 0.892646 0.641247 0.610515 ] [ 0.392646 0.110515 0.141247 ] [ 0.891101 0.891101 0.891101 ] ] } "species" { "source-value" [ "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" "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" 9.08862824 "source-unit" "angstrom" } }