{ "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 0.829086 0.5 ] [ 0 0.333537 0 ] [ 0 0.666463 0 ] [ 0.5 0 0.5 ] [ 0 0.170914 0.5 ] [ 0.5 0.329086 0.5 ] [ 0.5 0.833537 0 ] [ 0.5 0.166463 0 ] [ 0 0.5 0.5 ] [ 0.5 0.670914 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.203063 0 0.797737 ] [ 0.791954 0.138236 0.786035 ] [ 0.208046 0.138236 0.213965 ] [ 0.208046 0.861764 0.213965 ] [ 0.791954 0.861764 0.786035 ] [ 0.796937 0 0.202263 ] [ 0.703063 0.5 0.797737 ] [ 0.291954 0.638236 0.786035 ] [ 0.708046 0.638236 0.213965 ] [ 0.708046 0.361764 0.213965 ] [ 0.291954 0.361764 0.786035 ] [ 0.296937 0.5 0.202263 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 5.74978712 "source-unit" "angstrom" } "b" { "source-value" 9.84155683 "source-unit" "angstrom" } "c" { "source-value" 5.67180634 "source-unit" "angstrom" } "beta" { "source-value" 110.87032523 "source-unit" "degree" } }