{ "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" [ [ 0.913812 0.850516 0.893738 ] [ 0.086188 0.850516 0.606262 ] [ 0.586188 0.649484 0.106262 ] [ 0.413812 0.649484 0.393738 ] [ 0.413812 0.350516 0.893738 ] [ 0.586188 0.350516 0.606262 ] [ 0.086188 0.149484 0.106262 ] [ 0.913812 0.149484 0.393738 ] [ 0.646124 0.88791 0.611873 ] [ 0.853876 0.38791 0.888127 ] [ 0.853876 0.61209 0.388127 ] [ 0.646124 0.11209 0.111873 ] [ 0.146124 0.38791 0.611873 ] [ 0.353876 0.88791 0.888127 ] [ 0.353876 0.11209 0.388127 ] [ 0.146124 0.61209 0.111873 ] [ 0.76514 0.018755 0.700184 ] [ 0.73486 0.481245 0.299816 ] [ 0.73486 0.518755 0.799816 ] [ 0.76514 0.981245 0.200184 ] [ 0.26514 0.518755 0.700184 ] [ 0.23486 0.981245 0.299816 ] [ 0.23486 0.018755 0.799816 ] [ 0.26514 0.481245 0.200184 ] [ 0.558331 0.79785 0.547231 ] [ 0.058331 0.70215 0.047231 ] [ 0.941669 0.70215 0.452769 ] [ 0.441669 0.79785 0.952769 ] [ 0.058331 0.29785 0.547231 ] [ 0.558331 0.20215 0.047231 ] [ 0.441669 0.20215 0.452769 ] [ 0.941669 0.29785 0.952769 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "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" 9.24233332699 "source-unit" "angstrom" } "b" { "source-value" 8.42305595507 "source-unit" "angstrom" } "c" { "source-value" 8.49657793511 "source-unit" "angstrom" } "beta" { "source-value" 99.6804245512 "source-unit" "degree" } }