{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.460207 0.920413 0.25 ] [ 0.539794 0.460207 0.75 ] [ 0.920413 0.460206 0.75 ] [ 0.079587 0.539794 0.25 ] [ 0.460206 0.539794 0.25 ] [ 0.539794 0.079587 0.75 ] [ 0.193042 0.386085 0.937536 ] [ 0.806958 0.193042 0.437536 ] [ 0.386085 0.193042 0.437536 ] [ 0.613915 0.806958 0.937536 ] [ 0.193042 0.806958 0.937536 ] [ 0.806958 0.613915 0.062464 ] [ 0.806958 0.193042 0.062464 ] [ 0.806958 0.613915 0.437536 ] [ 0.386085 0.193042 0.062464 ] [ 0.613915 0.806958 0.562464 ] [ 0.193042 0.386085 0.562464 ] [ 0.193042 0.806958 0.562464 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.123663 0.247326 0.25 ] [ 0.876337 0.123663 0.75 ] [ 0.247326 0.123663 0.75 ] [ 0.752674 0.876337 0.25 ] [ 0.123663 0.876337 0.25 ] [ 0.876337 0.752674 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 8.71298612814 "source-unit" "angstrom" } "c" { "source-value" 8.23281544 "source-unit" "angstrom" } }