{ "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 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.030014 ] [ 0.666667 0.333333 0.530014 ] [ 0.666667 0.333333 0.969986 ] [ 0.333333 0.666667 0.469986 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.834811 0.669621 0.146525 ] [ 0.165189 0.834811 0.646525 ] [ 0.669621 0.834811 0.646525 ] [ 0.330379 0.165189 0.146525 ] [ 0.834811 0.165189 0.146525 ] [ 0.165189 0.330379 0.853475 ] [ 0.165189 0.834811 0.853475 ] [ 0.165189 0.330379 0.646525 ] [ 0.669621 0.834811 0.853475 ] [ 0.330379 0.165189 0.353475 ] [ 0.834811 0.669621 0.353475 ] [ 0.834811 0.165189 0.353475 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" "B" "B" ] } "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" 4.95102211964 "source-unit" "angstrom" } "c" { "source-value" 13.93243135 "source-unit" "angstrom" } }