{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3c" } "basis-atom-coordinates" { "source-value" [ [ 0.665269 0.998602 0.916667 ] [ 0.333333 0.334731 0.916667 ] [ 0.001398 0.666667 0.916667 ] [ 0.998602 0.333333 0.083333 ] [ 0.666667 0.665269 0.083333 ] [ 0.334731 0.001398 0.083333 ] [ 0.331935 0.331935 0.25 ] [ 0 0.668065 0.25 ] [ 0.668065 0 0.25 ] [ 0.665269 0.666667 0.416667 ] [ 0.333333 0.998602 0.416667 ] [ 0.001398 0.334731 0.416667 ] [ 0.998602 0.665269 0.583333 ] [ 0.666667 0.001398 0.583333 ] [ 0.334731 0.333333 0.583333 ] [ 0.331935 0 0.75 ] [ 0 0.331935 0.75 ] [ 0.668065 0.668065 0.75 ] [ 0.666667 0.333333 0.995658 ] [ 0 0 0.837675 ] [ 0 0 0.162325 ] [ 0.333333 0.666667 0.004342 ] [ 0.333333 0.666667 0.328992 ] [ 0.666667 0.333333 0.171008 ] [ 0.666667 0.333333 0.495658 ] [ 0 0 0.337675 ] [ 0 0 0.662325 ] [ 0.333333 0.666667 0.504342 ] [ 0.333333 0.666667 0.828992 ] [ 0.666667 0.333333 0.671008 ] ] } "species" { "source-value" [ "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "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" 6.17712736 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }