{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.261982 ] [ 0.333333 0.666667 0.738018 ] [ 0 0 0 ] [ 0.83507 0.16493 0.767361 ] [ 0.83507 0.67014 0.767361 ] [ 0.32986 0.16493 0.767361 ] [ 0.16493 0.83507 0.232639 ] [ 0.16493 0.32986 0.232639 ] [ 0.67014 0.83507 0.232639 ] ] } "species" { "source-value" [ "Cs" "Cs" "U" "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" 7.64304938197 "source-unit" "angstrom" } "c" { "source-value" 6.31889691 "source-unit" "angstrom" } }