{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.996843 0.997468 0.991492 ] [ 0.990988 0.503807 0.49997 ] [ 0.990988 0.496193 0.99997 ] [ 0.996843 0.002532 0.491492 ] [ 0.496843 0.497468 0.991492 ] [ 0.490988 0.003807 0.49997 ] [ 0.490988 0.996193 0.99997 ] [ 0.496843 0.502532 0.491492 ] [ 0.213511 0.448368 0.13626 ] [ 0.775679 0.452575 0.347174 ] [ 0.213511 0.551632 0.63626 ] [ 0.775679 0.547425 0.847174 ] [ 0.713511 0.948368 0.13626 ] [ 0.275679 0.952575 0.347174 ] [ 0.713511 0.051632 0.63626 ] [ 0.275679 0.047425 0.847174 ] [ 0.164484 0.364256 0.787727 ] [ 0.055083 0.76061 0.629386 ] [ 0.938715 0.737275 0.860491 ] [ 0.938715 0.262725 0.360491 ] [ 0.828897 0.359416 0.6975 ] [ 0.828897 0.640584 0.1975 ] [ 0.164484 0.635744 0.287727 ] [ 0.055083 0.23939 0.129386 ] [ 0.664484 0.864256 0.787727 ] [ 0.555083 0.26061 0.629386 ] [ 0.438715 0.237275 0.860491 ] [ 0.438715 0.762725 0.360491 ] [ 0.328897 0.859416 0.6975 ] [ 0.328897 0.140584 0.1975 ] [ 0.664484 0.135744 0.287727 ] [ 0.555083 0.73939 0.129386 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.717987044 "source-unit" "angstrom" } "b" { "source-value" 5.79448057 "source-unit" "angstrom" } "c" { "source-value" 13.5790444749 "source-unit" "angstrom" } "beta" { "source-value" 96.2748003635 "source-unit" "degree" } }