{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.22808 ] [ 0.666667 0.333333 0.561414 ] [ 0.333333 0.666667 0.894747 ] [ 0 0 0.72808 ] [ 0.666667 0.333333 0.061414 ] [ 0.333333 0.666667 0.394747 ] [ 0 0 0.505492 ] [ 0.666667 0.333333 0.838825 ] [ 0.333333 0.666667 0.172158 ] [ 0 0 0.005492 ] [ 0.666667 0.333333 0.338825 ] [ 0.333333 0.666667 0.672158 ] [ 0.917292 0.23229 0.633148 ] [ 0.583959 0.565623 0.966481 ] [ 0.250625 0.898956 0.299814 ] [ 0.434377 0.416041 0.466481 ] [ 0.101044 0.749375 0.799814 ] [ 0.76771 0.082708 0.133148 ] [ 0.981664 0.565623 0.466481 ] [ 0.648331 0.898956 0.799814 ] [ 0.314998 0.23229 0.133148 ] [ 0.583959 0.018336 0.466481 ] [ 0.250625 0.351669 0.799814 ] [ 0.917292 0.685002 0.133148 ] [ 0.76771 0.685002 0.633148 ] [ 0.434377 0.018336 0.966481 ] [ 0.101044 0.351669 0.299814 ] [ 0.314998 0.082708 0.633148 ] [ 0.981664 0.416041 0.966481 ] [ 0.648331 0.749375 0.299814 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.60597051252 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }