{ "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" [ [ 0.5 0.5 0.18018 ] [ 0.5 0.5 0.81982 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.68018 ] [ 0 0 0.31982 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.133682 ] [ 0 0 0.866318 ] [ 0.5 0.5 0.633682 ] [ 0.5 0.5 0.366318 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.29866618 "source-unit" "angstrom" } "c" { "source-value" 19.04278801 "source-unit" "angstrom" } }