{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.633586 0 0.789986 ] [ 0.366414 0.366414 0.789986 ] [ 0.633586 0.633586 0.210014 ] [ 0 0.366414 0.210014 ] [ 0 0.633586 0.789986 ] [ 0.366414 0 0.210014 ] [ 0.703855 0 0.667506 ] [ 0 0.296145 0.332494 ] [ 0.703855 0.703855 0.332494 ] [ 0.296145 0 0.332494 ] [ 0.296145 0.296145 0.667506 ] [ 0 0.703855 0.667506 ] ] } "species" { "source-value" [ "K" "K" "Na" "Ag" "Ag" "Ag" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.18875055 "source-unit" "angstrom" } "c" { "source-value" 8.65007376 "source-unit" "angstrom" } }