{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.417105 0.666387 0.063038 ] [ 0.082895 0.666387 0.436962 ] [ 0.582895 0.333613 0.936962 ] [ 0.917105 0.333613 0.563038 ] [ 0.502492 0.026977 0.313759 ] [ 0.997508 0.026977 0.186241 ] [ 0.497508 0.973023 0.686241 ] [ 0.002492 0.973023 0.813759 ] [ 0.75 0.959877 0.25 ] [ 0.25 0.040123 0.75 ] [ 0.49073 0.471473 0.301912 ] [ 0.00927 0.471473 0.198088 ] [ 0.50927 0.528527 0.698088 ] [ 0.99073 0.528527 0.801912 ] [ 0.631296 0.975513 0.428244 ] [ 0.868704 0.975513 0.071756 ] [ 0.804088 0.03281 0.668739 ] [ 0.695912 0.03281 0.831261 ] [ 0.195912 0.96719 0.331261 ] [ 0.368704 0.024487 0.571756 ] [ 0.131296 0.024487 0.928244 ] [ 0.304088 0.96719 0.168739 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Mo" "Mo" "Mo" "Mo" "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" 6.19355024779 "source-unit" "angstrom" } "b" { "source-value" 3.99525885 "source-unit" "angstrom" } "c" { "source-value" 14.5315365103 "source-unit" "angstrom" } "beta" { "source-value" 98.873131532 "source-unit" "degree" } }