{ "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 0.862386 ] [ 0 0 0.137614 ] [ 0.666667 0.333333 0.195719 ] [ 0.666667 0.333333 0.470947 ] [ 0.333333 0.666667 0.529053 ] [ 0.333333 0.666667 0.804281 ] [ 0.666667 0.333333 0.98007 ] [ 0.333333 0.666667 0.01993 ] [ 0.333333 0.666667 0.313403 ] [ 0 0 0.353264 ] [ 0 0 0.646736 ] [ 0.666667 0.333333 0.686597 ] [ 0.345927 0.384448 0.921118 ] [ 0.038522 0.654073 0.921118 ] [ 0.615552 0.961478 0.921118 ] [ 0.384448 0.038522 0.078882 ] [ 0.961478 0.345927 0.078882 ] [ 0.654073 0.615552 0.078882 ] [ 0.012593 0.717782 0.254451 ] [ 0.705188 0.987407 0.254451 ] [ 0.282218 0.294812 0.254451 ] [ 0.051115 0.371855 0.412215 ] [ 0.628145 0.67926 0.412215 ] [ 0.32074 0.948885 0.412215 ] [ 0.67926 0.051115 0.587785 ] [ 0.371855 0.32074 0.587785 ] [ 0.948885 0.628145 0.587785 ] [ 0.717782 0.705188 0.745549 ] [ 0.294812 0.012593 0.745549 ] [ 0.987407 0.282218 0.745549 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 5.93909337 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }