{ "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 0.000025 ] [ 0.666667 0.333333 0.333358 ] [ 0.333333 0.666667 0.666692 ] [ 0 0 0.468426 ] [ 0.666667 0.333333 0.801759 ] [ 0.333333 0.666667 0.135093 ] [ 0.164373 0.835627 0.33985 ] [ 0.83104 0.16896 0.673183 ] [ 0.497707 0.502293 0.006516 ] [ 0.164373 0.328747 0.33985 ] [ 0.83104 0.66208 0.673183 ] [ 0.497707 0.995413 0.006516 ] [ 0.671253 0.835627 0.33985 ] [ 0.33792 0.16896 0.673183 ] [ 0.004587 0.502293 0.006516 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Ge" "Ge" "Ge" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.50881287938 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }