{ "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" [ [ 0.778584 0.221416 0 ] [ 0.721416 0.278584 0.5 ] [ 0.278584 0.278584 0.5 ] [ 0.221416 0.221416 0 ] [ 0 0 0.5 ] [ 0.278584 0.721416 0.5 ] [ 0.221416 0.778584 0 ] [ 0.778584 0.778584 0 ] [ 0.721416 0.721416 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.25543 0.739552 ] [ 0 0.74457 0.739552 ] [ 0.75543 0.5 0.760448 ] [ 0.24457 0.5 0.760448 ] [ 0.24457 0.5 0.239552 ] [ 0.75543 0.5 0.239552 ] [ 0 0.74457 0.260448 ] [ 0 0.25543 0.260448 ] [ 0.5 0.75543 0.239552 ] [ 0.5 0.24457 0.239552 ] [ 0.25543 0 0.260448 ] [ 0.74457 0 0.260448 ] [ 0.74457 0 0.739552 ] [ 0.25543 0 0.739552 ] [ 0.5 0.24457 0.760448 ] [ 0.5 0.75543 0.760448 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Au" "Au" "Au" "Au" "O" "O" "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" 8.41989920839 "source-unit" "angstrom" } "c" { "source-value" 6.61166636309 "source-unit" "angstrom" } }