{ "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" [ [ 0.333333 0.666667 0.961662 ] [ 0.666667 0.333333 0.461662 ] [ 0.333333 0.666667 0.538338 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.038338 ] [ 0 0 0.409339 ] [ 0 0 0.590661 ] [ 0 0 0.090661 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0.909339 ] [ 0.666667 0.333333 0.75 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" ] } "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" 3.94384368126 "source-unit" "angstrom" } "c" { "source-value" 17.03813471 "source-unit" "angstrom" } }