{ "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 0 0.833235 ] [ 0.666667 0.333333 0.166568 ] [ 0.333333 0.666667 0.499902 ] [ 0 0 0.423529 ] [ 0.666667 0.333333 0.756863 ] [ 0.333333 0.666667 0.090196 ] [ 0 0 0.576236 ] [ 0.666667 0.333333 0.909569 ] [ 0.333333 0.666667 0.242902 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "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" 3.34374752964 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }