{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.976545 0.75 0.682218 ] [ 0.523455 0.75 0.182218 ] [ 0.476545 0.25 0.817782 ] [ 0.023455 0.25 0.317782 ] [ 0.951677 0.75 0.858184 ] [ 0.84055 0.940283 0.630566 ] [ 0.84055 0.559717 0.630566 ] [ 0.782829 0.25 0.871613 ] [ 0.717171 0.25 0.371613 ] [ 0.65945 0.940283 0.130566 ] [ 0.65945 0.559717 0.130566 ] [ 0.548323 0.75 0.358184 ] [ 0.451677 0.25 0.641816 ] [ 0.34055 0.440283 0.869434 ] [ 0.34055 0.059717 0.869434 ] [ 0.282829 0.75 0.628387 ] [ 0.217171 0.75 0.128387 ] [ 0.15945 0.440283 0.369434 ] [ 0.15945 0.059717 0.369434 ] [ 0.048323 0.25 0.141816 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Se" "Se" "Se" "Se" "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" 5.23560863 "source-unit" "angstrom" } "b" { "source-value" 7.44616895 "source-unit" "angstrom" } "c" { "source-value" 9.64281456 "source-unit" "angstrom" } }