{ "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" [ [ 0.5 0.241709 0.75 ] [ 0 0.258291 0.25 ] [ 0 0.741709 0.75 ] [ 0.5 0.758291 0.25 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0.955502 0.807304 0.316245 ] [ 0.044498 0.807304 0.183755 ] [ 0.727277 0.937769 0.60101 ] [ 0.772723 0.437769 0.89899 ] [ 0.772723 0.562231 0.39899 ] [ 0.544498 0.692696 0.683755 ] [ 0.455502 0.692696 0.816245 ] [ 0.727277 0.062231 0.10101 ] [ 0.455502 0.307304 0.316245 ] [ 0.544498 0.307304 0.183755 ] [ 0.227277 0.437769 0.60101 ] [ 0.272723 0.937769 0.89899 ] [ 0.272723 0.062231 0.39899 ] [ 0.044498 0.192696 0.683755 ] [ 0.955502 0.192696 0.816245 ] [ 0.227277 0.562231 0.10101 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Au" "Au" "Au" "Au" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 23.6260906098 "source-unit" "angstrom" } "b" { "source-value" 4.38896773017 "source-unit" "angstrom" } "c" { "source-value" 13.8637406238 "source-unit" "angstrom" } "beta" { "source-value" 151.548541892 "source-unit" "degree" } }