{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.745694 0.254306 0.872888 ] [ 0.254306 0.254306 0.872888 ] [ 0.745694 0.254306 0.127112 ] [ 0.254306 0.254306 0.127112 ] [ 0.745694 0.745694 0.872888 ] [ 0.254306 0.745694 0.872888 ] [ 0.254306 0.745694 0.127112 ] [ 0.745694 0.745694 0.127112 ] [ 0.245694 0.754306 0.372888 ] [ 0.754306 0.754306 0.372888 ] [ 0.245694 0.754306 0.627112 ] [ 0.754306 0.754306 0.627112 ] [ 0.245694 0.245694 0.372888 ] [ 0.754306 0.245694 0.372888 ] [ 0.754306 0.245694 0.627112 ] [ 0.245694 0.245694 0.627112 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.143585 "source-unit" "angstrom" } "c" { "source-value" 16.324974 "source-unit" "angstrom" } }