{ "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 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.705723 0.838377 0 ] [ 0.161623 0.705723 0 ] [ 0.838377 0.294277 0 ] [ 0.294277 0.161623 0 ] [ 0 0 0.231694 ] [ 0 0 0.768306 ] [ 0.205723 0.338377 0.5 ] [ 0.661623 0.205723 0.5 ] [ 0.338377 0.794277 0.5 ] [ 0.794277 0.661623 0.5 ] [ 0.5 0.5 0.731694 ] [ 0.5 0.5 0.268306 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cd" "Cd" "W" "W" "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" 5.81955947165 "source-unit" "angstrom" } "c" { "source-value" 8.43195772725 "source-unit" "angstrom" } }