{ "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 0.774871 ] [ 0.666667 0.333333 0.108204 ] [ 0.333333 0.666667 0.441537 ] [ 0 0 0.270373 ] [ 0.666667 0.333333 0.603706 ] [ 0.333333 0.666667 0.93704 ] [ 0 0 0.49285 ] [ 0.666667 0.333333 0.826183 ] [ 0.333333 0.666667 0.159517 ] [ 0 0 0.995911 ] [ 0.666667 0.333333 0.329245 ] [ 0.333333 0.666667 0.662578 ] [ 0.683896 0.766201 0.36907 ] [ 0.350563 0.099534 0.702403 ] [ 0.01723 0.432867 0.035737 ] [ 0.082304 0.316104 0.36907 ] [ 0.748971 0.649437 0.702403 ] [ 0.415638 0.98277 0.035737 ] [ 0.418319 0.43536 0.534935 ] [ 0.084986 0.768694 0.868268 ] [ 0.751653 0.102027 0.201601 ] [ 0.017041 0.581681 0.534935 ] [ 0.683708 0.915014 0.868268 ] [ 0.350374 0.248347 0.201601 ] [ 0.233799 0.917696 0.36907 ] [ 0.900466 0.251029 0.702403 ] [ 0.567133 0.584362 0.035737 ] [ 0.56464 0.982959 0.534935 ] [ 0.231306 0.316292 0.868268 ] [ 0.897973 0.649626 0.201601 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Fe" "Fe" "Fe" "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" 5.61341719367 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }