{ "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 ] [ 0.132832 0.265664 0.25 ] [ 0.734336 0.867168 0.25 ] [ 0.132832 0.867168 0.25 ] [ 0.867168 0.734336 0.75 ] [ 0.265664 0.132832 0.75 ] [ 0.867168 0.132832 0.75 ] ] } "species" { "source-value" [ "Ac" "Ac" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "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" 6.93605972 "source-unit" "angstrom" } "c" { "source-value" 4.42767739 "source-unit" "angstrom" } }