{ "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" [ [ 0.666667 0.333333 0.112814 ] [ 0.333333 0.666667 0.946147 ] [ 0.333333 0.666667 0.446147 ] [ 0 0 0.27948 ] [ 0 0 0.77948 ] [ 0.666667 0.333333 0.612814 ] [ 0 0 0.994231 ] [ 0.333333 0.666667 0.160898 ] [ 0.666667 0.333333 0.327565 ] [ 0 0 0.494231 ] [ 0.333333 0.666667 0.660898 ] [ 0.666667 0.333333 0.827565 ] [ 0.689971 0.928595 0.882621 ] [ 0.571958 0.595262 0.049288 ] [ 0.023304 0.428042 0.049288 ] [ 0.238624 0.310029 0.882621 ] [ 0.071405 0.761376 0.882621 ] [ 0.404738 0.976696 0.049288 ] [ 0.356637 0.261929 0.215955 ] [ 0.238624 0.928595 0.382621 ] [ 0.689971 0.761376 0.382621 ] [ 0.905291 0.643363 0.215955 ] [ 0.738071 0.094709 0.215955 ] [ 0.071405 0.310029 0.382621 ] [ 0.023304 0.595262 0.549288 ] [ 0.905291 0.261929 0.715955 ] [ 0.356637 0.094709 0.715955 ] [ 0.571958 0.976696 0.549288 ] [ 0.404738 0.428042 0.549288 ] [ 0.738071 0.643363 0.715955 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "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" 5.78311098 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }