{ "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 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.894749 0.789498 0.75 ] [ 0.105251 0.894749 0.25 ] [ 0.105251 0.210502 0.25 ] [ 0.894749 0.105251 0.75 ] [ 0.210502 0.105251 0.75 ] [ 0.789498 0.894749 0.25 ] ] } "species" { "source-value" [ "Pr" "Pr" "B" "B" "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" 5.68938128969 "source-unit" "angstrom" } "c" { "source-value" 3.46295179 "source-unit" "angstrom" } }