{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.771188 0.5 0.112366 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.228812 0.5 0.887634 ] [ 0.271188 0 0.112366 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.728812 0 0.887634 ] [ 0.768988 0.5 0.628274 ] [ 0.231012 0.5 0.371726 ] [ 0.268988 0 0.628274 ] [ 0.731012 0 0.371726 ] [ 0.134334 0 0.444238 ] [ 0.865666 0 0.555762 ] [ 0.634334 0.5 0.444238 ] [ 0.365666 0.5 0.555762 ] [ 0.126099 0 0.950503 ] [ 0.856219 0.5 0.329154 ] [ 0.845762 0.5 0.812138 ] [ 0.154238 0.5 0.187862 ] [ 0.143781 0.5 0.670846 ] [ 0.873901 0 0.049497 ] [ 0.626099 0.5 0.950503 ] [ 0.356219 0 0.329154 ] [ 0.345762 0 0.812138 ] [ 0.654238 0 0.187862 ] [ 0.643781 0 0.670846 ] [ 0.373901 0.5 0.049497 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "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" 9.96027391 "source-unit" "angstrom" } "b" { "source-value" 2.98026671 "source-unit" "angstrom" } "c" { "source-value" 10.45326385 "source-unit" "angstrom" } "beta" { "source-value" 102.35069539 "source-unit" "degree" } }