{ "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" [ [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.981917 0.021972 0.25 ] [ 0.481917 0.478028 0.75 ] [ 0.518083 0.521972 0.25 ] [ 0.018083 0.978028 0.75 ] [ 0.859339 0.183137 0.421317 ] [ 0.359339 0.316863 0.578683 ] [ 0.640661 0.683137 0.078683 ] [ 0.140661 0.816863 0.921317 ] [ 0.140661 0.816863 0.578683 ] [ 0.640661 0.683137 0.421317 ] [ 0.359339 0.316863 0.921317 ] [ 0.859339 0.183137 0.078683 ] [ 0.321416 0.071025 0.25 ] [ 0.821416 0.428975 0.75 ] [ 0.178584 0.571025 0.25 ] [ 0.678584 0.928975 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Se" "Se" "Se" "Se" "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" 5.07224804 "source-unit" "angstrom" } "b" { "source-value" 5.98990103 "source-unit" "angstrom" } "c" { "source-value" 7.77857913 "source-unit" "angstrom" } }