{ "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" [ [ 0.126328 0.5 0.864556 ] [ 0.873672 0.5 0.135444 ] [ 0.626328 0 0.864556 ] [ 0.373672 0 0.135444 ] [ 0.868626 0 0.58944 ] [ 0.131374 0 0.41056 ] [ 0.368626 0.5 0.58944 ] [ 0.631374 0.5 0.41056 ] [ 0.118299 0 0.809876 ] [ 0.137343 0.5 0.367554 ] [ 0.881701 0 0.190124 ] [ 0.862657 0.5 0.632446 ] [ 0.618299 0.5 0.809876 ] [ 0.637343 0 0.367554 ] [ 0.381701 0.5 0.190124 ] [ 0.362657 0 0.632446 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sb" "Sb" "Sb" "Sb" "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" 12.8687867404 "source-unit" "angstrom" } "b" { "source-value" 5.5881278591 "source-unit" "angstrom" } "c" { "source-value" 5.94227792415 "source-unit" "angstrom" } "beta" { "source-value" 115.759365252 "source-unit" "degree" } }