{ "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 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.049925 0.317096 0.764652 ] [ 0.273598 0 0.866707 ] [ 0.049925 0.682904 0.764652 ] [ 0.950075 0.682904 0.235348 ] [ 0 0 0 ] [ 0.726402 0 0.133293 ] [ 0.950075 0.317096 0.235348 ] [ 0.549925 0.817096 0.764652 ] [ 0.773598 0.5 0.866707 ] [ 0.549925 0.182904 0.764652 ] [ 0.450075 0.182904 0.235348 ] [ 0.5 0.5 0 ] [ 0.226402 0.5 0.133293 ] [ 0.450075 0.817096 0.235348 ] [ 0.919158 0.156556 0.424784 ] [ 0.913439 0 0.255904 ] [ 0.562618 0 0.932208 ] [ 0.080842 0.843444 0.575216 ] [ 0.086561 0 0.744096 ] [ 0.919158 0.843444 0.424784 ] [ 0.080842 0.156556 0.575216 ] [ 0.437382 0 0.067792 ] [ 0.419158 0.656556 0.424784 ] [ 0.413439 0.5 0.255904 ] [ 0.062618 0.5 0.932208 ] [ 0.580842 0.343444 0.575216 ] [ 0.586561 0.5 0.744096 ] [ 0.419158 0.343444 0.424784 ] [ 0.580842 0.656556 0.575216 ] [ 0.937382 0.5 0.067792 ] [ 0.844007 0.205853 0.85318 ] [ 0.354716 0 0.543048 ] [ 0.645284 0 0.456952 ] [ 0.844007 0.794147 0.85318 ] [ 0.155993 0.205853 0.14682 ] [ 0.155993 0.794147 0.14682 ] [ 0.344007 0.705853 0.85318 ] [ 0.854716 0.5 0.543048 ] [ 0.145284 0.5 0.456952 ] [ 0.344007 0.294147 0.85318 ] [ 0.655993 0.705853 0.14682 ] [ 0.655993 0.294147 0.14682 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.1192837403 "source-unit" "angstrom" } "b" { "source-value" 11.1110236249 "source-unit" "angstrom" } "c" { "source-value" 8.27716763097 "source-unit" "angstrom" } "beta" { "source-value" 101.47431149 "source-unit" "degree" } }