{ "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" [ [ 0.203384 0.406768 0.958202 ] [ 0.796616 0.203384 0.458202 ] [ 0.406768 0.203384 0.458202 ] [ 0.593232 0.796616 0.958202 ] [ 0.203384 0.796616 0.958202 ] [ 0.796616 0.593232 0.041798 ] [ 0.796616 0.203384 0.041798 ] [ 0.796616 0.593232 0.458202 ] [ 0.406768 0.203384 0.041798 ] [ 0.593232 0.796616 0.541798 ] [ 0.203384 0.406768 0.541798 ] [ 0.203384 0.796616 0.541798 ] [ 0.537217 0.074434 0.75 ] [ 0.462783 0.537217 0.25 ] [ 0.074434 0.537217 0.25 ] [ 0.925566 0.462783 0.75 ] [ 0.537217 0.462783 0.75 ] [ 0.462783 0.925566 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.888872 0.777743 0.75 ] [ 0.111128 0.888872 0.25 ] [ 0.777743 0.888872 0.25 ] [ 0.222257 0.111128 0.75 ] [ 0.888872 0.111128 0.75 ] [ 0.111128 0.222257 0.25 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "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" 8.34008865094 "source-unit" "angstrom" } "c" { "source-value" 8.83548509 "source-unit" "angstrom" } }