{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.771224 0.127081 0.248694 ] [ 0.355856 0.228776 0.248694 ] [ 0.872919 0.644144 0.248694 ] [ 0.127081 0.355856 0.748694 ] [ 0.228776 0.872919 0.748694 ] [ 0.644144 0.771224 0.748694 ] [ 0 0 0.720434 ] [ 0 0 0.220434 ] [ 0.666667 0.333333 0.835648 ] [ 0.333333 0.666667 0.335648 ] [ 0.666667 0.333333 0.462294 ] [ 0.834538 0.090715 0.734411 ] [ 0.909285 0.743823 0.734411 ] [ 0.584139 0.478747 0.982904 ] [ 0.478747 0.894607 0.482904 ] [ 0.521253 0.105393 0.982904 ] [ 0.333333 0.666667 0.962294 ] [ 0.743823 0.834538 0.234411 ] [ 0.256177 0.165462 0.734411 ] [ 0.105393 0.584139 0.482904 ] [ 0.165462 0.909285 0.234411 ] [ 0.415861 0.521253 0.482904 ] [ 0.894607 0.415861 0.982904 ] [ 0.090715 0.256177 0.234411 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Cu" "Cu" "Si" "Si" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.6191795123 "source-unit" "angstrom" } "c" { "source-value" 6.08214974 "source-unit" "angstrom" } }