{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/n" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.150008 ] [ 0 0.5 0.849992 ] [ 0.843219 0.859477 0.751753 ] [ 0.359477 0.656781 0.751753 ] [ 0.640523 0.343219 0.751753 ] [ 0.156781 0.140523 0.751753 ] [ 0.656781 0.640523 0.248247 ] [ 0.140523 0.843219 0.248247 ] [ 0.859477 0.156781 0.248247 ] [ 0.343219 0.359477 0.248247 ] [ 0.709215 0.089382 0.901841 ] [ 0.589382 0.790785 0.901841 ] [ 0.410618 0.209215 0.901841 ] [ 0.290785 0.910618 0.901841 ] [ 0.790785 0.410618 0.098159 ] [ 0.910618 0.709215 0.098159 ] [ 0.212429 0.403082 0.622939 ] [ 0.903082 0.287571 0.622939 ] [ 0.096918 0.712429 0.622939 ] [ 0.787571 0.596918 0.622939 ] [ 0.287571 0.096918 0.377061 ] [ 0.596918 0.212429 0.377061 ] [ 0.403082 0.787571 0.377061 ] [ 0.712429 0.903082 0.377061 ] [ 0.209215 0.589382 0.098159 ] [ 0.089382 0.290785 0.098159 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.60124086 "source-unit" "angstrom" } "c" { "source-value" 7.15836656 "source-unit" "angstrom" } }