{ "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" [ [ 0.978092 0.427441 0.75 ] [ 0.521908 0.927441 0.75 ] [ 0.478092 0.072559 0.25 ] [ 0.021908 0.572559 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.121674 0.045193 0.75 ] [ 0.189146 0.303324 0.058196 ] [ 0.189146 0.303324 0.441804 ] [ 0.310854 0.803324 0.441804 ] [ 0.310854 0.803324 0.058196 ] [ 0.378326 0.545193 0.75 ] [ 0.621674 0.454807 0.25 ] [ 0.689146 0.196676 0.941804 ] [ 0.689146 0.196676 0.558196 ] [ 0.810854 0.696676 0.558196 ] [ 0.810854 0.696676 0.941804 ] [ 0.878326 0.954807 0.25 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Ti" "Ti" "Ti" "Ti" "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" 5.33559956 "source-unit" "angstrom" } "b" { "source-value" 5.71698452 "source-unit" "angstrom" } "c" { "source-value" 7.69290291 "source-unit" "angstrom" } }