{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.366282 0.732095 0.423902 ] [ 0.8804 0.876315 0.179366 ] [ 0.3804 0.623685 0.679366 ] [ 0.894162 0.778722 0.687713 ] [ 0.133718 0.232095 0.076098 ] [ 0.105838 0.221278 0.312287 ] [ 0.6196 0.376315 0.320634 ] [ 0.866282 0.767905 0.923902 ] [ 0.633718 0.267905 0.576098 ] [ 0.1196 0.123685 0.820634 ] [ 0.394162 0.721278 0.187713 ] [ 0.605838 0.278722 0.812287 ] [ 0.354118 0.691774 0.950349 ] [ 0.854118 0.808226 0.450349 ] [ 0.645882 0.308226 0.049651 ] [ 0.145882 0.191774 0.549651 ] [ 0.406634 0.36255 0.308237 ] [ 0.906634 0.13745 0.808237 ] [ 0.593366 0.63745 0.691763 ] [ 0.093366 0.86255 0.191763 ] [ 0.149335 0.603477 0.965489 ] [ 0.879285 0.442291 0.569253 ] [ 0.350665 0.103477 0.534511 ] [ 0.176457 0.543672 0.665587 ] [ 0.649335 0.896523 0.465489 ] [ 0.120715 0.557709 0.430747 ] [ 0.323543 0.043672 0.834413 ] [ 0.620715 0.942291 0.930747 ] [ 0.379285 0.057709 0.069253 ] [ 0.676457 0.956328 0.165587 ] [ 0.823543 0.456328 0.334413 ] [ 0.850665 0.396523 0.034511 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Sb" "Sb" "Sb" "Sb" "As" "As" "As" "As" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.9773866749 "source-unit" "angstrom" } "b" { "source-value" 4.57962233 "source-unit" "angstrom" } "c" { "source-value" 16.0271954547 "source-unit" "angstrom" } "beta" { "source-value" 91.66676579 "source-unit" "degree" } }