{ "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 0.333621 0 ] [ 0 0.666379 0 ] [ 0.5 0 0.5 ] [ 0 0.176295 0.5 ] [ 0 0.823705 0.5 ] [ 0.5 0.833621 0 ] [ 0.5 0.166379 0 ] [ 0 0.5 0.5 ] [ 0.5 0.676295 0.5 ] [ 0.5 0.323705 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.769897 0.152968 0.766039 ] [ 0.769897 0.847032 0.766039 ] [ 0.230103 0.152968 0.233961 ] [ 0.230103 0.847032 0.233961 ] [ 0.77229 0 0.225956 ] [ 0.22771 0 0.774044 ] [ 0.269897 0.652968 0.766039 ] [ 0.269897 0.347032 0.766039 ] [ 0.730103 0.652968 0.233961 ] [ 0.730103 0.347032 0.233961 ] [ 0.27229 0.5 0.225956 ] [ 0.72771 0.5 0.774044 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Re" "Re" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.11819496136 "source-unit" "angstrom" } "b" { "source-value" 8.82081968276 "source-unit" "angstrom" } "c" { "source-value" 5.08413541071 "source-unit" "angstrom" } "beta" { "source-value" 110.140420491 "source-unit" "degree" } }