{ "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 0.866833 ] [ 0 0 0.133167 ] [ 0.666667 0.333333 0.200166 ] [ 0.666667 0.333333 0.466501 ] [ 0.333333 0.666667 0.533499 ] [ 0.333333 0.666667 0.799834 ] [ 0 0 0.647746 ] [ 0 0 0.352254 ] [ 0.666667 0.333333 0.98108 ] [ 0.666667 0.333333 0.685587 ] [ 0.333333 0.666667 0.314413 ] [ 0.333333 0.666667 0.01892 ] [ 0.588948 0.898646 0.92143 ] [ 0.309698 0.411052 0.92143 ] [ 0.101354 0.690302 0.92143 ] [ 0.898646 0.309698 0.07857 ] [ 0.690302 0.588948 0.07857 ] [ 0.411052 0.101354 0.07857 ] [ 0.255615 0.23198 0.254763 ] [ 0.976365 0.744385 0.254763 ] [ 0.76802 0.023635 0.254763 ] [ 0.565313 0.643031 0.411904 ] [ 0.356969 0.922282 0.411904 ] [ 0.077718 0.434687 0.411904 ] [ 0.922282 0.565313 0.588096 ] [ 0.643031 0.077718 0.588096 ] [ 0.434687 0.356969 0.588096 ] [ 0.23198 0.976365 0.745237 ] [ 0.023635 0.255615 0.745237 ] [ 0.744385 0.76802 0.745237 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Sb" "Sb" "Sb" "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" 6.40065313 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }