{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.932772 0.36255 0.751644 ] [ 0.567228 0.86255 0.748356 ] [ 0.067228 0.63745 0.248356 ] [ 0.432772 0.13745 0.251644 ] [ 0.852937 0.965078 0.163447 ] [ 0.647063 0.465078 0.336553 ] [ 0.147063 0.034922 0.836553 ] [ 0.352937 0.534922 0.663447 ] [ 0.419925 0.195094 0.832352 ] [ 0.080075 0.695094 0.667648 ] [ 0.580075 0.804906 0.167648 ] [ 0.919925 0.304906 0.332352 ] [ 0.204505 0.388749 0.116855 ] [ 0.295495 0.888749 0.383145 ] [ 0.795495 0.611251 0.883145 ] [ 0.704505 0.111251 0.616855 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.88665334277 "source-unit" "angstrom" } "b" { "source-value" 4.99502986 "source-unit" "angstrom" } "c" { "source-value" 11.9624517991 "source-unit" "angstrom" } "beta" { "source-value" 104.169187943 "source-unit" "degree" } }