{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.119893 ] [ 0.666667 0.333333 0.453226 ] [ 0.333333 0.666667 0.786559 ] [ 0 0 0.880107 ] [ 0.666667 0.333333 0.213441 ] [ 0.333333 0.666667 0.546774 ] [ 0 0 0.392574 ] [ 0.666667 0.333333 0.725907 ] [ 0.333333 0.666667 0.059241 ] [ 0 0 0.607426 ] [ 0.666667 0.333333 0.940759 ] [ 0.333333 0.666667 0.274093 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.13209002637 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }