{ "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 0.251296 ] [ 0.666667 0.333333 0.584629 ] [ 0.333333 0.666667 0.917962 ] [ 0 0 0.748704 ] [ 0.666667 0.333333 0.082038 ] [ 0.333333 0.666667 0.415371 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0.799536 0.106629 0.421612 ] [ 0.466203 0.439962 0.754945 ] [ 0.13287 0.773296 0.088278 ] [ 0.893371 0.692907 0.421612 ] [ 0.560038 0.026241 0.754945 ] [ 0.226704 0.359574 0.088278 ] [ 0.307093 0.200464 0.421612 ] [ 0.973759 0.533797 0.754945 ] [ 0.640426 0.86713 0.088278 ] [ 0.200464 0.893371 0.578388 ] [ 0.86713 0.226704 0.911722 ] [ 0.533797 0.560038 0.245055 ] [ 0.692907 0.799536 0.578388 ] [ 0.359574 0.13287 0.911722 ] [ 0.026241 0.466203 0.245055 ] [ 0.106629 0.307093 0.578388 ] [ 0.773296 0.640426 0.911722 ] [ 0.439962 0.973759 0.245055 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Bi" "Bi" "Bi" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.14707049369 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }