{ "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" [ [ 0.643634 0.889904 0.479103 ] [ 0.356366 0.889904 0.020897 ] [ 0.356366 0.110096 0.520897 ] [ 0.643634 0.110096 0.979103 ] [ 0.143634 0.389904 0.479103 ] [ 0.856366 0.389904 0.020897 ] [ 0.856366 0.610096 0.520897 ] [ 0.143634 0.610096 0.979103 ] [ 0 0.098505 0.75 ] [ 0 0.901495 0.25 ] [ 0.5 0.598505 0.75 ] [ 0.5 0.401495 0.25 ] [ 0.860621 0.80885 0.300929 ] [ 0.139379 0.19115 0.699071 ] [ 0.135721 0.047086 0.145057 ] [ 0.135721 0.952914 0.645057 ] [ 0.860621 0.19115 0.800929 ] [ 0.864279 0.047086 0.354943 ] [ 0.864279 0.952914 0.854943 ] [ 0.139379 0.80885 0.199071 ] [ 0.360621 0.30885 0.300929 ] [ 0.639379 0.69115 0.699071 ] [ 0.635721 0.547086 0.145057 ] [ 0.635721 0.452914 0.645057 ] [ 0.360621 0.69115 0.800929 ] [ 0.364279 0.547086 0.354943 ] [ 0.364279 0.452914 0.854943 ] [ 0.639379 0.30885 0.199071 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "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" 8.93779575488 "source-unit" "angstrom" } "b" { "source-value" 12.0413494862 "source-unit" "angstrom" } "c" { "source-value" 5.05743500084 "source-unit" "angstrom" } "beta" { "source-value" 115.706017142 "source-unit" "degree" } }