{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.340415 0.502356 0.902478 ] [ 0.744897 0.472802 0.493766 ] [ 0.534956 0.477068 0.696004 ] [ 0.938226 0.514116 0.295552 ] [ 0.141505 0.527823 0.09841 ] [ 0.255103 0.972802 0.506234 ] [ 0.659585 0.002356 0.097522 ] [ 0.061774 0.014116 0.704448 ] [ 0.465044 0.977068 0.303996 ] [ 0.858495 0.027823 0.90159 ] [ 0.301251 0.797041 0.645146 ] [ 0.902263 0.819311 0.030761 ] [ 0.704848 0.810412 0.232867 ] [ 0.102173 0.819089 0.840788 ] [ 0.505004 0.792032 0.441763 ] [ 0.00333 0.683294 0.435976 ] [ 0.204884 0.696583 0.237669 ] [ 0.40614 0.699418 0.04203 ] [ 0.494996 0.292032 0.558237 ] [ 0.897827 0.319089 0.159212 ] [ 0.295152 0.310412 0.767133 ] [ 0.097737 0.319311 0.969239 ] [ 0.698749 0.297041 0.354854 ] [ 0.795116 0.196583 0.762331 ] [ 0.59386 0.199418 0.95797 ] [ 0.99667 0.183294 0.564024 ] [ 0.608188 0.698601 0.838496 ] [ 0.804725 0.690056 0.640082 ] [ 0.195275 0.190056 0.359918 ] [ 0.391812 0.198601 0.161504 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.54888094 "source-unit" "angstrom" } "b" { "source-value" 4.66041978 "source-unit" "angstrom" } "c" { "source-value" 12.93551275 "source-unit" "angstrom" } "beta" { "source-value" 101.76913243 "source-unit" "degree" } }