{ "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" [ [ 0.333333 0.666667 0.860868 ] [ 0 0 0.194202 ] [ 0.666667 0.333333 0.527535 ] [ 0 0 0.978627 ] [ 0.333333 0.666667 0.125197 ] [ 0.666667 0.333333 0.992557 ] [ 0.666667 0.333333 0.31196 ] [ 0 0 0.45853 ] [ 0.333333 0.666667 0.325891 ] [ 0.333333 0.666667 0.645294 ] [ 0.666667 0.333333 0.791863 ] [ 0 0 0.659224 ] [ 0.318167 0.327175 0.059515 ] [ 0.917042 0.25972 0.908111 ] [ 0.672825 0.990992 0.059515 ] [ 0.342678 0.082958 0.908111 ] [ 0.009008 0.681833 0.059515 ] [ 0.74028 0.657322 0.908111 ] [ 0.984834 0.660508 0.392848 ] [ 0.583709 0.593053 0.241444 ] [ 0.339492 0.324326 0.392848 ] [ 0.009344 0.416291 0.241444 ] [ 0.675674 0.015166 0.392848 ] [ 0.406947 0.990656 0.241444 ] [ 0.651501 0.993842 0.726181 ] [ 0.250375 0.926386 0.574777 ] [ 0.006158 0.657659 0.726181 ] [ 0.676011 0.749625 0.574777 ] [ 0.342341 0.348499 0.726181 ] [ 0.073614 0.323989 0.574777 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 5.01322573 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }