{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.871797 ] [ 0.666667 0.333333 0.371797 ] [ 0 0 0.599519 ] [ 0 0 0.099519 ] [ 0.333333 0.666667 0.238875 ] [ 0.666667 0.333333 0.738875 ] [ 0.164165 0.835835 0.352983 ] [ 0.32833 0.164165 0.852983 ] [ 0.835835 0.67167 0.852983 ] [ 0.164165 0.32833 0.352983 ] [ 0.67167 0.835835 0.352983 ] [ 0.835835 0.164165 0.852983 ] [ 0.494495 0.505505 0.113387 ] [ 0.988991 0.494495 0.613387 ] [ 0.505505 0.011009 0.613387 ] [ 0.494495 0.988991 0.113387 ] [ 0.011009 0.505505 0.113387 ] [ 0.505505 0.494495 0.613387 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Pu" "Pu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.47836593869 "source-unit" "angstrom" } "c" { "source-value" 12.27233071 "source-unit" "angstrom" } }