{ "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" [ [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.950796 0.627492 0.532105 ] [ 0.049204 0.127492 0.967895 ] [ 0.950796 0.872508 0.032105 ] [ 0.049204 0.372508 0.467895 ] [ 0.887917 0.261897 0.833933 ] [ 0.112083 0.761897 0.666067 ] [ 0.112083 0.738103 0.166067 ] [ 0.887917 0.238103 0.333933 ] [ 0.692738 0.826503 0.930941 ] [ 0.307262 0.326503 0.569059 ] [ 0.307262 0.173497 0.069059 ] [ 0.692738 0.673497 0.430941 ] ] } "species" { "source-value" [ "Hg" "Hg" "C" "C" "C" "C" "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" 5.11117548602 "source-unit" "angstrom" } "b" { "source-value" 5.35050446 "source-unit" "angstrom" } "c" { "source-value" 6.77332824567 "source-unit" "angstrom" } "beta" { "source-value" 108.717979253 "source-unit" "degree" } }