{ "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 0.183 ] [ 0.5 0.5 0.817 ] [ 0.5 0.5 0 ] [ 0 0 0.683 ] [ 0 0 0.317 ] [ 0 0 0.5 ] [ 0 0 0.90272 ] [ 0 0 0.09728 ] [ 0.5 0.5 0.40272 ] [ 0.5 0.5 0.59728 ] [ 0 0 0 ] [ 0 0 0.806183 ] [ 0 0 0.193817 ] [ 0 0.5 0.904424 ] [ 0.5 0 0.904424 ] [ 0.5 0 0.095576 ] [ 0 0.5 0.095576 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.306183 ] [ 0.5 0.5 0.693817 ] [ 0.5 0 0.404424 ] [ 0 0.5 0.404424 ] [ 0 0.5 0.595576 ] [ 0.5 0 0.595576 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Fe" "Fe" "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" 3.90813784532 "source-unit" "angstrom" } "c" { "source-value" 20.3487759003 "source-unit" "angstrom" } }