{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.333333 0.666667 0.834793 ] [ 0.666667 0.333333 0.165207 ] [ 0 0 0 ] [ 0.666667 0.333333 0.725735 ] [ 0.333333 0.666667 0.274265 ] [ 0.180942 0.361884 0.195527 ] [ 0.638116 0.819058 0.195527 ] [ 0.180942 0.819058 0.195527 ] [ 0.819058 0.638116 0.804473 ] [ 0.819058 0.180942 0.804473 ] [ 0.361884 0.180942 0.804473 ] [ 0.333333 0.666667 0.488098 ] [ 0.666667 0.333333 0.511902 ] ] } "species" { "source-value" [ "K" "K" "K" "Na" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.90354103873 "source-unit" "angstrom" } "c" { "source-value" 7.6514023 "source-unit" "angstrom" } }