{ "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 0.25 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.037395 0.670886 0.25 ] [ 0.962605 0.633491 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.633491 0.670886 0.25 ] [ 0.323234 0.161617 0.02023 ] [ 0.161617 0.323234 0.52023 ] [ 0.037395 0.366509 0.25 ] [ 0.838383 0.161617 0.02023 ] [ 0.333333 0.666667 0.398646 ] [ 0.670886 0.037395 0.75 ] [ 0.666667 0.333333 0.898646 ] [ 0.329114 0.366509 0.25 ] [ 0.676766 0.838383 0.97977 ] [ 0.366509 0.037395 0.75 ] [ 0.838383 0.161617 0.47977 ] [ 0.323234 0.161617 0.47977 ] [ 0.366509 0.329114 0.75 ] [ 0.962605 0.329114 0.75 ] [ 0.670886 0.633491 0.75 ] [ 0.838383 0.676766 0.47977 ] [ 0.161617 0.323234 0.97977 ] [ 0.838383 0.676766 0.02023 ] [ 0.666667 0.333333 0.601354 ] [ 0.676766 0.838383 0.52023 ] [ 0 0.5 0 ] [ 0.333333 0.666667 0.101354 ] [ 0.633491 0.962605 0.25 ] [ 0.161617 0.838383 0.97977 ] [ 0.329114 0.962605 0.25 ] [ 0.5 0.5 0 ] [ 0.161617 0.838383 0.52023 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "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" 8.97653541667 "source-unit" "angstrom" } "c" { "source-value" 8.78207163 "source-unit" "angstrom" } }