{ "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 0.047455 0.25 ] [ 0 0.952545 0.75 ] [ 0.5 0.547455 0.25 ] [ 0.5 0.452545 0.75 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0.803053 0.611601 0.111081 ] [ 0.196947 0.611601 0.388919 ] [ 0.196947 0.388399 0.888919 ] [ 0.803053 0.388399 0.611081 ] [ 0.303053 0.111601 0.111081 ] [ 0.696947 0.111601 0.388919 ] [ 0.696947 0.888399 0.888919 ] [ 0.303053 0.888399 0.611081 ] [ 0.830955 0.538274 0.175107 ] [ 0.169045 0.461726 0.824893 ] [ 0.830955 0.461726 0.675107 ] [ 0.169045 0.538274 0.324893 ] [ 0.330955 0.038274 0.175107 ] [ 0.669045 0.961726 0.824893 ] [ 0.330955 0.961726 0.675107 ] [ 0.669045 0.038274 0.324893 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ag" "Ag" "Ag" "Ag" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.6720128375 "source-unit" "angstrom" } "b" { "source-value" 3.81782013 "source-unit" "angstrom" } "c" { "source-value" 17.6419984683 "source-unit" "angstrom" } "beta" { "source-value" 91.4789694154 "source-unit" "degree" } }