{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.831256 0.331256 0 ] [ 0.668744 0.831256 0 ] [ 0.331256 0.168744 0 ] [ 0.168744 0.668744 0 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.331256 0.831256 0.5 ] [ 0.168744 0.331256 0.5 ] [ 0.831256 0.668744 0.5 ] [ 0.668744 0.168744 0.5 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.357753 0.857753 0.148078 ] [ 0.357753 0.857753 0.851922 ] [ 0.642247 0.142247 0.851922 ] [ 0.857753 0.642247 0.851922 ] [ 0.142247 0.357753 0.851922 ] [ 0.142247 0.357753 0.148078 ] [ 0.857753 0.642247 0.148078 ] [ 0.642247 0.142247 0.148078 ] [ 0.857753 0.357753 0.648078 ] [ 0.857753 0.357753 0.351922 ] [ 0.142247 0.642247 0.351922 ] [ 0.357753 0.142247 0.351922 ] [ 0.642247 0.857753 0.351922 ] [ 0.642247 0.857753 0.648078 ] [ 0.357753 0.142247 0.648078 ] [ 0.142247 0.642247 0.648078 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Al" "Al" "Al" "Al" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.83577880795 "source-unit" "angstrom" } "c" { "source-value" 11.2626143873 "source-unit" "angstrom" } }