{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0 0 0.752396 ] [ 0.666667 0.333333 0.08573 ] [ 0.333333 0.666667 0.419063 ] [ 0 0 0.247604 ] [ 0.666667 0.333333 0.580937 ] [ 0.333333 0.666667 0.91427 ] [ 0.624948 0.956614 0.418267 ] [ 0.291615 0.289948 0.7516 ] [ 0.958282 0.623281 0.084933 ] [ 0.043386 0.668334 0.418267 ] [ 0.710052 0.001667 0.7516 ] [ 0.376719 0.335001 0.084933 ] [ 0.668334 0.624948 0.581733 ] [ 0.335001 0.958282 0.915067 ] [ 0.001667 0.291615 0.2484 ] [ 0.375052 0.043386 0.581733 ] [ 0.041718 0.376719 0.915067 ] [ 0.708385 0.710052 0.2484 ] [ 0.956614 0.331666 0.581733 ] [ 0.623281 0.664999 0.915067 ] [ 0.289948 0.998333 0.2484 ] [ 0.331666 0.375052 0.418267 ] [ 0.998333 0.708385 0.7516 ] [ 0.664999 0.041718 0.084933 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Sn" "Sn" "Sn" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.76885739865 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }