{ "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 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.736296 ] [ 0.666667 0.333333 0.069629 ] [ 0.333333 0.666667 0.402963 ] [ 0 0 0.263704 ] [ 0.666667 0.333333 0.597037 ] [ 0.333333 0.666667 0.930371 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.67593084727 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }