{ "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 ] [ 0.467741 0.935483 0.25 ] [ 0.532259 0.467741 0.75 ] [ 0.935483 0.467741 0.75 ] [ 0.064517 0.532259 0.25 ] [ 0.467741 0.532259 0.25 ] [ 0.532259 0.064517 0.75 ] [ 0.194481 0.388962 0.940242 ] [ 0.805519 0.194481 0.440242 ] [ 0.388962 0.194481 0.440242 ] [ 0.611038 0.805519 0.940242 ] [ 0.194481 0.805519 0.940242 ] [ 0.805519 0.611038 0.059758 ] [ 0.805519 0.194481 0.059758 ] [ 0.805519 0.611038 0.440242 ] [ 0.388962 0.194481 0.059758 ] [ 0.611038 0.805519 0.559758 ] [ 0.194481 0.388962 0.559758 ] [ 0.194481 0.805519 0.559758 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.127435 0.25487 0.25 ] [ 0.872565 0.127435 0.75 ] [ 0.25487 0.127435 0.75 ] [ 0.74513 0.872565 0.25 ] [ 0.127435 0.872565 0.25 ] [ 0.872565 0.74513 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" "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" 7.67118060146 "source-unit" "angstrom" } "c" { "source-value" 7.59368281 "source-unit" "angstrom" } }