{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnn" } "basis-atom-coordinates" { "source-value" [ [ 0.712824 0.75 0.5 ] [ 0.75 0.119855 0.25 ] [ 0.787176 0.75 0 ] [ 0.25 0.880145 0.75 ] [ 0.287176 0.25 0.5 ] [ 0.75 0.380145 0.75 ] [ 0.212824 0.25 0 ] [ 0.25 0.619855 0.25 ] [ 0.418479 0.580098 0.405077 ] [ 0.502504 0.635266 0.81237 ] [ 0.002504 0.135266 0.68763 ] [ 0.918479 0.080098 0.094923 ] [ 0.002504 0.364734 0.31237 ] [ 0.581521 0.080098 0.405077 ] [ 0.081521 0.580098 0.094923 ] [ 0.502504 0.864734 0.18763 ] [ 0.418479 0.919902 0.594923 ] [ 0.997496 0.864734 0.31237 ] [ 0.497496 0.364734 0.18763 ] [ 0.081521 0.919902 0.905077 ] [ 0.918479 0.419902 0.905077 ] [ 0.497496 0.135266 0.81237 ] [ 0.997496 0.635266 0.68763 ] [ 0.581521 0.419902 0.594923 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 4.91324136 "source-unit" "angstrom" } "b" { "source-value" 5.58157995 "source-unit" "angstrom" } "c" { "source-value" 11.91387174 "source-unit" "angstrom" } }