{ "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" [ [ 0.161218 0.208153 0.285094 ] [ 0.001958 0.687313 0.253182 ] [ 0.161218 0.791847 0.785094 ] [ 0.001958 0.312687 0.753182 ] [ 0.841803 0.199819 0.215719 ] [ 0.841803 0.800181 0.715719 ] [ 0.661218 0.708153 0.285094 ] [ 0.501958 0.187313 0.253182 ] [ 0.661218 0.291847 0.785094 ] [ 0.501958 0.812687 0.753182 ] [ 0.341803 0.699819 0.215719 ] [ 0.341803 0.300181 0.715719 ] [ 0.066306 0.414064 0.132268 ] [ 0.114205 0.054905 0.550378 ] [ 0.890471 0.052228 0.949452 ] [ 0.066306 0.585936 0.632268 ] [ 0.935846 0.415997 0.37281 ] [ 0.114205 0.945095 0.050378 ] [ 0.890471 0.947772 0.449452 ] [ 0.935846 0.584003 0.87281 ] [ 0.566306 0.914064 0.132268 ] [ 0.614205 0.554905 0.550378 ] [ 0.390471 0.552228 0.949452 ] [ 0.566306 0.085936 0.632268 ] [ 0.435846 0.915997 0.37281 ] [ 0.614205 0.445095 0.050378 ] [ 0.390471 0.447772 0.449452 ] [ 0.435846 0.084003 0.87281 ] [ 0.753133 0.250683 0.49816 ] [ 0.753133 0.749317 0.99816 ] [ 0.253133 0.750683 0.49816 ] [ 0.253133 0.249317 0.99816 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 17.81593389 "source-unit" "angstrom" } "b" { "source-value" 5.45537549 "source-unit" "angstrom" } "c" { "source-value" 5.6618579 "source-unit" "angstrom" } "beta" { "source-value" 102.24456403 "source-unit" "degree" } }