{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.405669 0 0.9083 ] [ 0.865032 0.216807 0.362386 ] [ 0.865032 0.783193 0.362386 ] [ 0.905669 0.5 0.9083 ] [ 0.365032 0.716807 0.362386 ] [ 0.365032 0.283193 0.362386 ] [ 0.998366 0 0.997872 ] [ 0.498366 0.5 0.997872 ] [ 0.661672 0 0.649156 ] [ 0.161672 0.5 0.649156 ] [ 0.753688 0 0.928693 ] [ 0.105811 0 0.347003 ] [ 0.109842 0.139832 0.908709 ] [ 0.974912 0.792906 0.934434 ] [ 0.974912 0.207094 0.934434 ] [ 0.496236 0 0.505267 ] [ 0.755398 0 0.542172 ] [ 0.109842 0.860168 0.908709 ] [ 0.253688 0.5 0.928693 ] [ 0.605811 0.5 0.347003 ] [ 0.609842 0.639832 0.908709 ] [ 0.474912 0.292906 0.934434 ] [ 0.474912 0.707094 0.934434 ] [ 0.996236 0.5 0.505267 ] [ 0.255398 0.5 0.542172 ] [ 0.609842 0.360168 0.908709 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "V" "V" "C" "C" "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" 9.18403750545 "source-unit" "angstrom" } "b" { "source-value" 9.40208556154 "source-unit" "angstrom" } "c" { "source-value" 5.71178537129 "source-unit" "angstrom" } "beta" { "source-value" 123.414455035 "source-unit" "degree" } }