{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0.715983 0.715983 0.5 ] [ 0 0.284017 0.5 ] [ 0.284017 0 0.5 ] [ 0.370366 0.370366 0 ] [ 0 0.629634 0 ] [ 0.629634 0 0 ] [ 0.666667 0.333333 0.508567 ] [ 0.333333 0.666667 0.491433 ] [ 0 0 0 ] [ 0.751591 0.219685 0.710093 ] [ 0.780315 0.531906 0.710093 ] [ 0.468094 0.248409 0.710093 ] [ 0.531906 0.780315 0.289907 ] [ 0.248409 0.468094 0.289907 ] [ 0.219685 0.751591 0.289907 ] [ 0.582444 0.445746 0.29732 ] [ 0.554254 0.136698 0.29732 ] [ 0.863302 0.417556 0.29732 ] [ 0.083028 0.886021 0.793377 ] [ 0.113979 0.197007 0.793377 ] [ 0.802993 0.916972 0.793377 ] [ 0.197007 0.113979 0.206623 ] [ 0.916972 0.802993 0.206623 ] [ 0.886021 0.083028 0.206623 ] [ 0.445746 0.582444 0.70268 ] [ 0.417556 0.863302 0.70268 ] [ 0.136698 0.554254 0.70268 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.32937152 "source-unit" "angstrom" } "c" { "source-value" 5.25744628 "source-unit" "angstrom" } }