{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.754959 ] [ 0.207308 0.283233 0 ] [ 0.283233 0.792692 0 ] [ 0 0 0.245041 ] [ 0.716767 0.207308 0 ] [ 0.792692 0.716767 0 ] [ 0.5 0.5 0.254959 ] [ 0.707308 0.783233 0.5 ] [ 0.783233 0.292692 0.5 ] [ 0.5 0.5 0.745041 ] [ 0.216767 0.707308 0.5 ] [ 0.292692 0.216767 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Re" "Re" "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" 5.60372804811 "source-unit" "angstrom" } "c" { "source-value" 8.04203673268 "source-unit" "angstrom" } }