{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.692231 0.75 ] [ 0 0.307769 0.25 ] [ 0.5 0.192231 0.75 ] [ 0.5 0.807769 0.25 ] [ 0 0.915782 0.25 ] [ 0 0.084218 0.75 ] [ 0.5 0.415782 0.25 ] [ 0.5 0.584218 0.75 ] [ 0.694325 0.910258 0.789752 ] [ 0.305675 0.089742 0.210248 ] [ 0.694325 0.089742 0.289752 ] [ 0.305675 0.910258 0.710248 ] [ 0.194325 0.410258 0.789752 ] [ 0.805675 0.589742 0.210248 ] [ 0.194325 0.589742 0.289752 ] [ 0.805675 0.410258 0.710248 ] [ 0.880518 0.089071 0.362142 ] [ 0.119482 0.089071 0.137858 ] [ 0.880518 0.910929 0.862142 ] [ 0.119482 0.910929 0.637858 ] [ 0.380518 0.589071 0.362142 ] [ 0.619482 0.589071 0.137858 ] [ 0.380518 0.410929 0.862142 ] [ 0.619482 0.410929 0.637858 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 9.34286610088 "source-unit" "angstrom" } "b" { "source-value" 8.85709693397 "source-unit" "angstrom" } "c" { "source-value" 4.94174887729 "source-unit" "angstrom" } "beta" { "source-value" 102.740833226 "source-unit" "degree" } }