{ "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" [ [ 0.212378 0.787622 0.75 ] [ 0.212378 0.424756 0.75 ] [ 0.424756 0.212378 0.25 ] [ 0.575244 0.787622 0.75 ] [ 0.787622 0.575244 0.25 ] [ 0.787622 0.212378 0.25 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.737023 0.868511 0.25 ] [ 0.262977 0.131489 0.75 ] [ 0.131489 0.868511 0.25 ] [ 0.868511 0.737023 0.75 ] [ 0.131489 0.262977 0.25 ] [ 0.868511 0.131489 0.75 ] [ 0.867838 0.433919 0.474527 ] [ 0.433919 0.566081 0.974527 ] [ 0.433919 0.867838 0.525473 ] [ 0.132162 0.566081 0.525473 ] [ 0.132162 0.566081 0.974527 ] [ 0.566081 0.433919 0.474527 ] [ 0.566081 0.132162 0.025473 ] [ 0.566081 0.433919 0.025473 ] [ 0.433919 0.867838 0.974527 ] [ 0.566081 0.132162 0.474527 ] [ 0.867838 0.433919 0.025473 ] [ 0.433919 0.566081 0.525473 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Eu" "Eu" "Eu" "Eu" "Li" "Li" "C" "C" "C" "C" "C" "C" "I" "I" "I" "I" "I" "I" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "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" 10.7385989828 "source-unit" "angstrom" } "c" { "source-value" 6.80136383 "source-unit" "angstrom" } }