{ "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 0.207372 ] [ 0.666667 0.333333 0.540705 ] [ 0.333333 0.666667 0.874039 ] [ 0 0 0.792628 ] [ 0.666667 0.333333 0.125961 ] [ 0.333333 0.666667 0.459295 ] [ 0 0 0.393836 ] [ 0.666667 0.333333 0.727169 ] [ 0.333333 0.666667 0.060503 ] [ 0 0 0.606164 ] [ 0.666667 0.333333 0.939497 ] [ 0.333333 0.666667 0.272831 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "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" 3.53477253831 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }