{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.274474 ] [ 0.666667 0.333333 0.607808 ] [ 0.333333 0.666667 0.941141 ] [ 0 0 0.019765 ] [ 0.666667 0.333333 0.353098 ] [ 0.333333 0.666667 0.686432 ] [ 0.063726 0.334721 0.93992 ] [ 0.665279 0.729005 0.93992 ] [ 0.270995 0.936274 0.93992 ] [ 0.730393 0.668054 0.273253 ] [ 0.331946 0.062339 0.273253 ] [ 0.937661 0.269607 0.273253 ] [ 0.397059 0.001387 0.606587 ] [ 0.998613 0.395672 0.606587 ] [ 0.604328 0.602941 0.606587 ] ] } "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" 5.93601108 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }