{ "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" [ [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.167333 0.334665 0.52316 ] [ 0.665335 0.832667 0.52316 ] [ 0.167333 0.832667 0.52316 ] [ 0.832667 0.167333 0.02316 ] [ 0.333333 0.666667 0.105299 ] [ 0.666667 0.333333 0.605299 ] [ 0.666667 0.333333 0.894701 ] [ 0.333333 0.666667 0.394701 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.327988 0.9516 0.25 ] [ 0.376388 0.327988 0.75 ] [ 0.9516 0.623612 0.75 ] [ 0.0484 0.376388 0.25 ] [ 0.623612 0.672012 0.25 ] [ 0.376388 0.0484 0.75 ] [ 0.672012 0.623612 0.75 ] [ 0.672012 0.0484 0.75 ] [ 0.9516 0.327988 0.75 ] [ 0.0484 0.672012 0.25 ] [ 0.623612 0.9516 0.25 ] [ 0.327988 0.376388 0.25 ] [ 0.167333 0.832667 0.97684 ] [ 0.334665 0.167333 0.47684 ] [ 0.832667 0.665335 0.47684 ] [ 0.167333 0.334665 0.97684 ] [ 0.665335 0.832667 0.97684 ] [ 0.334665 0.167333 0.02316 ] [ 0.832667 0.665335 0.02316 ] [ 0.832667 0.167333 0.47684 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "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" 8.32484872752 "source-unit" "angstrom" } "c" { "source-value" 8.09540304 "source-unit" "angstrom" } }