{ "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 0.253328 ] [ 0.333333 0.666667 0.746672 ] [ 0 0 0 ] [ 0.83648 0.16352 0.76416 ] [ 0.672961 0.83648 0.23584 ] [ 0.327039 0.16352 0.76416 ] [ 0.16352 0.327039 0.23584 ] [ 0.16352 0.83648 0.23584 ] [ 0.83648 0.672961 0.76416 ] ] } "species" { "source-value" [ "Cs" "Cs" "Pu" "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" 7.62848992932 "source-unit" "angstrom" } "c" { "source-value" 6.18370778 "source-unit" "angstrom" } }