{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.833514 ] [ 0 0 0.166848 ] [ 0.666667 0.333333 0.500181 ] [ 0 0 0.997641 ] [ 0.666667 0.333333 0.330974 ] [ 0.333333 0.666667 0.664308 ] [ 0.666667 0.333333 0.928219 ] [ 0.333333 0.666667 0.067292 ] [ 0.333333 0.666667 0.261553 ] [ 0 0 0.400626 ] [ 0 0 0.594886 ] [ 0.666667 0.333333 0.733959 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Ti" "Ti" "Ti" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.56665231 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }