{ "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 0.485623 ] [ 0.666667 0.333333 0.818956 ] [ 0.333333 0.666667 0.152289 ] [ 0 0 0.909483 ] [ 0.666667 0.333333 0.242817 ] [ 0.333333 0.666667 0.57615 ] [ 0.175667 0.824333 0.358631 ] [ 0.842334 0.157666 0.691964 ] [ 0.509 0.491 0.025297 ] [ 0.175667 0.351334 0.358631 ] [ 0.842334 0.684668 0.691964 ] [ 0.509 0.018001 0.025297 ] [ 0.648666 0.824333 0.358631 ] [ 0.315332 0.157666 0.691964 ] [ 0.981999 0.491 0.025297 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Bi" "Bi" "Bi" "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" 5.68480945643 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }