{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.927901 0.5 0.245176 ] [ 0.072099 0.5 0.754824 ] [ 0.427901 0 0.245176 ] [ 0.572099 0 0.754824 ] [ 0.732583 0.5 0.6659 ] [ 0.267417 0.5 0.3341 ] [ 0.232583 0 0.6659 ] [ 0.767417 0 0.3341 ] [ 0.873301 0 0.066713 ] [ 0.126699 0 0.933287 ] [ 0.373301 0.5 0.066713 ] [ 0.626699 0.5 0.933287 ] ] } "species" { "source-value" [ "Hg" "Hg" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "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" 11.9838843272 "source-unit" "angstrom" } "b" { "source-value" 3.99252603722 "source-unit" "angstrom" } "c" { "source-value" 10.2191543578 "source-unit" "angstrom" } "beta" { "source-value" 139.217293132 "source-unit" "degree" } }