{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.022163 ] [ 0 0 0.522163 ] [ 0.97647 0.488235 0.771983 ] [ 0.333333 0.666667 0.513404 ] [ 0.666667 0.333333 0.489323 ] [ 0.511765 0.488235 0.771983 ] [ 0.666667 0.333333 0.013404 ] [ 0.488235 0.97647 0.271983 ] [ 0.02353 0.511765 0.271983 ] [ 0.333333 0.666667 0.989323 ] [ 0.511765 0.02353 0.771983 ] [ 0.488235 0.511765 0.271983 ] [ 0.859553 0.719107 0.772947 ] [ 0.859553 0.140447 0.772947 ] [ 0.140447 0.859553 0.272947 ] [ 0.333333 0.666667 0.768885 ] [ 0.006119 0.50306 0.062812 ] [ 0.719107 0.859553 0.272947 ] [ 0.50306 0.006119 0.562812 ] [ 0.993881 0.49694 0.562812 ] [ 0.140447 0.280893 0.272947 ] [ 0.666667 0.333333 0.268885 ] [ 0.49694 0.50306 0.062812 ] [ 0.49694 0.993881 0.062812 ] [ 0.50306 0.49694 0.562812 ] [ 0.280893 0.140447 0.772947 ] ] } "species" { "source-value" [ "La" "La" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.63714882 "source-unit" "angstrom" } "c" { "source-value" 8.29588289 "source-unit" "angstrom" } }