{ "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 0.724461 ] [ 0.333333 0.666667 0.275539 ] [ 0 0 0 ] [ 0.333333 0.666667 0.628922 ] [ 0.666667 0.333333 0.371078 ] ] } "species" { "source-value" [ "Pu" "Pu" "S" "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" 3.86776022662 "source-unit" "angstrom" } "c" { "source-value" 6.65000267 "source-unit" "angstrom" } }