{ "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 0.167313 ] [ 0.666667 0.333333 0.500647 ] [ 0.333333 0.666667 0.83398 ] [ 0 0 0.832687 ] [ 0.666667 0.333333 0.16602 ] [ 0.333333 0.666667 0.499353 ] [ 0 0 0.450095 ] [ 0.666667 0.333333 0.783429 ] [ 0.333333 0.666667 0.116762 ] [ 0 0 0.549905 ] [ 0.666667 0.333333 0.883238 ] [ 0.333333 0.666667 0.216571 ] [ 0.330917 0.002403 0.422639 ] [ 0.997584 0.335736 0.755973 ] [ 0.664251 0.66907 0.089306 ] [ 0.997597 0.328514 0.422639 ] [ 0.664264 0.661848 0.755973 ] [ 0.33093 0.995181 0.089306 ] [ 0.671486 0.669083 0.422639 ] [ 0.338152 0.002416 0.755973 ] [ 0.004819 0.335749 0.089306 ] [ 0.669083 0.997597 0.577361 ] [ 0.335749 0.33093 0.910694 ] [ 0.002416 0.664264 0.244027 ] [ 0.002403 0.671486 0.577361 ] [ 0.66907 0.004819 0.910694 ] [ 0.335736 0.338152 0.244027 ] [ 0.328514 0.330917 0.577361 ] [ 0.995181 0.664251 0.910694 ] [ 0.661848 0.997584 0.244027 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "P" "P" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.45834406696 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }