{ "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 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.717401 0.781374 0 ] [ 0.218626 0.717401 0 ] [ 0.781374 0.282599 0 ] [ 0.282599 0.218626 0 ] [ 0.5 0.5 0.750861 ] [ 0.5 0.5 0.249139 ] [ 0.217401 0.281374 0.5 ] [ 0.718626 0.217401 0.5 ] [ 0.281374 0.782599 0.5 ] [ 0.782599 0.718626 0.5 ] [ 0 0 0.250861 ] [ 0 0 0.749139 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ta" "Ta" "Ga" "Ga" "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" 5.61979892494 "source-unit" "angstrom" } "c" { "source-value" 8.02174237301 "source-unit" "angstrom" } }