{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.597496 ] [ 0.333333 0.666667 0.402504 ] [ 0 0 0 ] [ 0.748637 0.748637 0.5 ] [ 0 0.251363 0.5 ] [ 0.251363 0 0.5 ] [ 0.625578 0 0 ] [ 0 0.625578 0 ] [ 0.374422 0.374422 0 ] ] } "species" { "source-value" [ "Na" "Na" "Th" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.07842568764 "source-unit" "angstrom" } "c" { "source-value" 3.86901669 "source-unit" "angstrom" } }