{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.429816 0.061381 0 ] [ 0.631565 0.570184 0 ] [ 0.938619 0.368435 0 ] [ 0.155681 0.275739 0 ] [ 0.120058 0.844319 0 ] [ 0.724261 0.879942 0 ] [ 0.384542 0.436682 0.5 ] [ 0.05214 0.615458 0.5 ] [ 0.563318 0.94786 0.5 ] [ 0.216095 0.096896 0.5 ] [ 0.8808 0.783905 0.5 ] [ 0.903104 0.1192 0.5 ] [ 0.413065 0.29877 0 ] [ 0.885705 0.586935 0 ] [ 0.70123 0.114295 0 ] [ 0.114044 0.403724 0.5 ] [ 0.289681 0.885956 0.5 ] [ 0.596276 0.710319 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.84360305668 "source-unit" "angstrom" } "c" { "source-value" 3.5962704 "source-unit" "angstrom" } }