{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.446793 0.362939 0.12749 ] [ 0.946793 0.137061 0.12749 ] [ 0.769095 0.12717 0.474152 ] [ 0.730905 0.62717 0.525848 ] [ 0.269095 0.37283 0.474152 ] [ 0.230905 0.87283 0.525848 ] [ 0.053207 0.862939 0.87251 ] [ 0.553207 0.637061 0.87251 ] [ 0.477308 0.912988 0.199304 ] [ 0.977308 0.587012 0.199304 ] [ 0.022692 0.412988 0.800696 ] [ 0.522692 0.087012 0.800696 ] [ 0.278958 0.051361 0.117456 ] [ 0.493956 0.716507 0.108137 ] [ 0.778958 0.448639 0.117456 ] [ 0.665691 0.075142 0.211137 ] [ 0.993956 0.783493 0.108137 ] [ 0.505776 0.86837 0.3834 ] [ 0.562034 0.381613 0.387653 ] [ 0.165691 0.424858 0.211137 ] [ 0.005776 0.63163 0.3834 ] [ 0.062034 0.118387 0.387653 ] [ 0.937966 0.881613 0.612347 ] [ 0.994224 0.36837 0.6166 ] [ 0.834309 0.575142 0.788863 ] [ 0.437966 0.618387 0.612347 ] [ 0.494224 0.13163 0.6166 ] [ 0.006044 0.216507 0.891863 ] [ 0.334309 0.924858 0.788863 ] [ 0.221042 0.551361 0.882544 ] [ 0.506044 0.283493 0.891863 ] [ 0.721042 0.948639 0.882544 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 6.74097327 "source-unit" "angstrom" } "b" { "source-value" 6.91290094 "source-unit" "angstrom" } "c" { "source-value" 9.12412375 "source-unit" "angstrom" } "beta" { "source-value" 105.88411946 "source-unit" "degree" } }