{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.030598 ] [ 0.666667 0.333333 0.968212 ] [ 0 0 0.363932 ] [ 0.333333 0.666667 0.301545 ] [ 0.666667 0.333333 0.697265 ] [ 0 0 0.634879 ] [ 0 0 0.141882 ] [ 0 0 0.84967 ] [ 0.666667 0.333333 0.475215 ] [ 0.666667 0.333333 0.183004 ] [ 0.333333 0.666667 0.808548 ] [ 0.333333 0.666667 0.516337 ] [ 0.953695 0.605778 0.088173 ] [ 0.394222 0.347918 0.088173 ] [ 0.652082 0.046305 0.088173 ] [ 0.300839 0.95296 0.914896 ] [ 0.652121 0.699161 0.914896 ] [ 0.04704 0.347879 0.914896 ] [ 0.620362 0.939111 0.421506 ] [ 0.060889 0.681251 0.421506 ] [ 0.318749 0.379638 0.421506 ] [ 0.967505 0.286293 0.248229 ] [ 0.318788 0.032495 0.248229 ] [ 0.713707 0.681212 0.248229 ] [ 0.287029 0.272444 0.75484 ] [ 0.727556 0.014584 0.75484 ] [ 0.985416 0.712971 0.75484 ] [ 0.634172 0.619626 0.581563 ] [ 0.985454 0.365828 0.581563 ] [ 0.380374 0.014546 0.581563 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "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" 5.89766699 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }