{ "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 ] [ 0 0 0.5 ] [ 0.471191 0.942381 0.25 ] [ 0.528809 0.471191 0.75 ] [ 0.942381 0.471191 0.75 ] [ 0.057619 0.528809 0.25 ] [ 0.471191 0.528809 0.25 ] [ 0.528809 0.057619 0.75 ] [ 0.192812 0.385623 0.941997 ] [ 0.807188 0.192812 0.441997 ] [ 0.385623 0.192812 0.441997 ] [ 0.614377 0.807188 0.941997 ] [ 0.192812 0.807188 0.941997 ] [ 0.807188 0.614377 0.058003 ] [ 0.807188 0.192812 0.058003 ] [ 0.807188 0.614377 0.441997 ] [ 0.385623 0.192812 0.058003 ] [ 0.614377 0.807188 0.558003 ] [ 0.192812 0.385623 0.558003 ] [ 0.192812 0.807188 0.558003 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.12975 0.259501 0.25 ] [ 0.87025 0.12975 0.75 ] [ 0.259501 0.12975 0.75 ] [ 0.740499 0.87025 0.25 ] [ 0.12975 0.87025 0.25 ] [ 0.87025 0.740499 0.75 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "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" 7.95116068567 "source-unit" "angstrom" } "c" { "source-value" 7.90424785 "source-unit" "angstrom" } }