{ "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" [ [ 0.144582 0.5 0.56473 ] [ 0.855418 0.5 0.43527 ] [ 0.644582 0 0.56473 ] [ 0.355418 0 0.43527 ] [ 0.150192 0.5 0.076168 ] [ 0.849808 0.5 0.923832 ] [ 0.650192 0 0.076168 ] [ 0.349808 0 0.923832 ] [ 0.992244 0 0.222758 ] [ 0.007756 0 0.777242 ] [ 0.492244 0.5 0.222758 ] [ 0.507756 0.5 0.777242 ] [ 0.82833 0 0.129441 ] [ 0.847132 0 0.731172 ] [ 0.992994 0.5 0.180942 ] [ 0.17167 0 0.870559 ] [ 0.007006 0.5 0.819058 ] [ 0.152868 0 0.268828 ] [ 0.32833 0.5 0.129441 ] [ 0.347132 0.5 0.731172 ] [ 0.492994 0 0.180942 ] [ 0.67167 0.5 0.870559 ] [ 0.507006 0 0.819058 ] [ 0.652868 0.5 0.268828 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Gd" "Gd" "Gd" "Gd" "Pd" "Pd" "Pd" "Pd" "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" 13.1699170959 "source-unit" "angstrom" } "b" { "source-value" 3.93953958 "source-unit" "angstrom" } "c" { "source-value" 7.5501114034 "source-unit" "angstrom" } "beta" { "source-value" 104.353620622 "source-unit" "degree" } }