{ "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" [ [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0 0 0 ] [ 0 0.745923 0.5 ] [ 0 0.254077 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.245923 0.5 ] [ 0.5 0.754077 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.602871 0.238037 0.218496 ] [ 0.602871 0.761963 0.218496 ] [ 0.894042 0.5 0.244059 ] [ 0.892618 0 0.24896 ] [ 0.607382 0.5 0.75104 ] [ 0.605958 0 0.755941 ] [ 0.897129 0.738037 0.781504 ] [ 0.897129 0.261963 0.781504 ] [ 0.102871 0.738037 0.218496 ] [ 0.102871 0.261963 0.218496 ] [ 0.394042 0 0.244059 ] [ 0.392618 0.5 0.24896 ] [ 0.107382 0 0.75104 ] [ 0.105958 0.5 0.755941 ] [ 0.397129 0.238037 0.781504 ] [ 0.397129 0.761963 0.781504 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "O" "O" "O" "O" "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" 10.41969986 "source-unit" "angstrom" } "b" { "source-value" 5.88946894 "source-unit" "angstrom" } "c" { "source-value" 5.10319584 "source-unit" "angstrom" } "beta" { "source-value" 108.37877755 "source-unit" "degree" } }