{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0 0.184448 0.25 ] [ 0 0.815552 0.75 ] [ 0.5 0.684448 0.25 ] [ 0.5 0.315552 0.75 ] [ 0.886511 0.355846 0.03216 ] [ 0.113489 0.355846 0.46784 ] [ 0.113489 0.644154 0.96784 ] [ 0.886511 0.644154 0.53216 ] [ 0.90211 0.910119 0.96888 ] [ 0.09789 0.910119 0.53112 ] [ 0.09789 0.089881 0.03112 ] [ 0.90211 0.089881 0.46888 ] [ 0.386511 0.855846 0.03216 ] [ 0.613489 0.855846 0.46784 ] [ 0.613489 0.144154 0.96784 ] [ 0.386511 0.144154 0.53216 ] [ 0.40211 0.410119 0.96888 ] [ 0.59789 0.410119 0.53112 ] [ 0.59789 0.589881 0.03112 ] [ 0.40211 0.589881 0.46888 ] ] } "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" "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" 11.4250806723 "source-unit" "angstrom" } "b" { "source-value" 6.33533999291 "source-unit" "angstrom" } "c" { "source-value" 5.27932498797 "source-unit" "angstrom" } "beta" { "source-value" 111.956112727 "source-unit" "degree" } }