{ "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" [ [ 0.142499 0.222203 0.696495 ] [ 0.357501 0.722203 0.803505 ] [ 0.756281 0.515124 0.219672 ] [ 0.642499 0.277797 0.196495 ] [ 0.256281 0.984876 0.719672 ] [ 0.243719 0.484876 0.780328 ] [ 0.71221 0.404338 0.642929 ] [ 0.78779 0.904338 0.857071 ] [ 0.28779 0.595662 0.357071 ] [ 0.21221 0.095662 0.142929 ] [ 0.743719 0.015124 0.280328 ] [ 0.857501 0.777797 0.303505 ] [ 0.676234 0.164279 0.757581 ] [ 0.823766 0.664279 0.742419 ] [ 0.323766 0.835721 0.242419 ] [ 0.176234 0.335721 0.257581 ] [ 0.424236 0.228469 0.451751 ] [ 0.075764 0.728469 0.048249 ] [ 0.575764 0.771531 0.548249 ] [ 0.924236 0.271531 0.951751 ] [ 0.495227 0.872918 0.04858 ] [ 0.004773 0.372918 0.45142 ] [ 0.876609 0.062352 0.698389 ] [ 0.623391 0.562352 0.801611 ] [ 0.123391 0.937648 0.301611 ] [ 0.376609 0.437648 0.198389 ] [ 0.504773 0.127082 0.95142 ] [ 0.995227 0.627082 0.54858 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "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" 5.85290299599 "source-unit" "angstrom" } "b" { "source-value" 12.78041222 "source-unit" "angstrom" } "c" { "source-value" 5.89085474687 "source-unit" "angstrom" } "beta" { "source-value" 115.486706079 "source-unit" "degree" } }