{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R32" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0 0 0.929315 ] [ 0.666667 0.333333 0.262649 ] [ 0.333333 0.666667 0.595982 ] [ 0 0 0.070685 ] [ 0.666667 0.333333 0.404018 ] [ 0.333333 0.666667 0.737351 ] [ 0 0 0.720715 ] [ 0.666667 0.333333 0.054048 ] [ 0.333333 0.666667 0.387381 ] [ 0 0 0.279285 ] [ 0.666667 0.333333 0.612619 ] [ 0.333333 0.666667 0.945952 ] [ 0.592542 0.59422 0.569551 ] [ 0.259208 0.927554 0.902885 ] [ 0.925875 0.260887 0.236218 ] [ 0.001679 0.407458 0.569551 ] [ 0.668345 0.740792 0.902885 ] [ 0.335012 0.074125 0.236218 ] [ 0.40578 0.998321 0.569551 ] [ 0.072446 0.331655 0.902885 ] [ 0.739113 0.664988 0.236218 ] [ 0.998321 0.40578 0.430449 ] [ 0.664988 0.739113 0.763782 ] [ 0.331655 0.072446 0.097115 ] [ 0.407458 0.001679 0.430449 ] [ 0.074125 0.335012 0.763782 ] [ 0.740792 0.668345 0.097115 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.59422 0.592542 0.430449 ] [ 0.260887 0.925875 0.763782 ] [ 0.927554 0.259208 0.097115 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Al" "Al" "Al" "Al" "Al" "Al" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "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" 5.51137208663 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }