{ "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 0.004451 ] [ 0.666667 0.333333 0.337784 ] [ 0.333333 0.666667 0.671117 ] [ 0 0 0.501816 ] [ 0.666667 0.333333 0.835149 ] [ 0.333333 0.666667 0.168483 ] [ 0.287216 0.143608 0.579911 ] [ 0.953883 0.476941 0.913244 ] [ 0.62055 0.810275 0.246578 ] [ 0.856392 0.143608 0.579911 ] [ 0.523059 0.476941 0.913244 ] [ 0.189725 0.810275 0.246578 ] [ 0.856392 0.712784 0.579911 ] [ 0.523059 0.046117 0.913244 ] [ 0.189725 0.37945 0.246578 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Br" "Br" "Br" "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" 6.23313413498 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }