{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_422" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0.5 0.666667 ] [ 0 0.5 0.333333 ] [ 0 0.5 0.833333 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.166667 ] [ 0.136933 0.691105 0.979992 ] [ 0.445828 0.308895 0.020008 ] [ 0.308895 0.863067 0.353342 ] [ 0.308895 0.445828 0.313325 ] [ 0.445828 0.136933 0.646658 ] [ 0.554172 0.691105 0.020008 ] [ 0.863067 0.554172 0.686675 ] [ 0.863067 0.308895 0.979992 ] [ 0.554172 0.863067 0.646658 ] [ 0.691105 0.554172 0.313325 ] [ 0.691105 0.136933 0.353342 ] [ 0.136933 0.445828 0.686675 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "P" "P" "P" "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" 7.18737130278 "source-unit" "angstrom" } "c" { "source-value" 6.48813558 "source-unit" "angstrom" } }