{ "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" [ [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0 1 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.674532 0.95941 0.082521 ] [ 0.284878 0.325468 0.082521 ] [ 0.95941 0.284878 0.917479 ] [ 0.715122 0.674532 0.917479 ] [ 0.325468 0.04059 0.917479 ] [ 0.04059 0.715122 0.082521 ] [ 0.341199 0.292744 0.415854 ] [ 0.951545 0.658801 0.415854 ] [ 0.626077 0.618212 0.250813 ] [ 0.381788 0.007865 0.250813 ] [ 0.992135 0.373923 0.250813 ] [ 0.707256 0.048455 0.415854 ] [ 0.007865 0.626077 0.749187 ] [ 0.618212 0.992135 0.749187 ] [ 0.292744 0.951545 0.584146 ] [ 0.048455 0.341199 0.584146 ] [ 0.658801 0.707256 0.584146 ] [ 0.373923 0.381788 0.749187 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Rh" "Rh" "Rh" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.16563033 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }