{ "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" [ [ 0.274546 0.132869 0.340691 ] [ 0.725454 0.132869 0.159309 ] [ 0.274546 0.867131 0.840691 ] [ 0.725454 0.867131 0.659309 ] [ 0.774546 0.632869 0.340691 ] [ 0.225454 0.632869 0.159309 ] [ 0.774546 0.367131 0.840691 ] [ 0.225454 0.367131 0.659309 ] [ 0.127544 0.060891 0.982994 ] [ 0.872456 0.060891 0.517006 ] [ 0.872456 0.939109 0.017006 ] [ 0 0.796039 0.25 ] [ 0 0.203961 0.75 ] [ 0.127544 0.939109 0.482994 ] [ 0.627544 0.560891 0.982994 ] [ 0.372456 0.560891 0.517006 ] [ 0.372456 0.439109 0.017006 ] [ 0.5 0.296039 0.25 ] [ 0.5 0.703961 0.75 ] [ 0.627544 0.439109 0.482994 ] [ 0 0.364958 0.25 ] [ 0 0.635042 0.75 ] [ 0.5 0.864958 0.25 ] [ 0.5 0.135042 0.75 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.30751686491 "source-unit" "angstrom" } "b" { "source-value" 9.51112526465 "source-unit" "angstrom" } "c" { "source-value" 8.3877707868 "source-unit" "angstrom" } "beta" { "source-value" 98.5408576042 "source-unit" "degree" } }