{ "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 ] [ 0.333333 0.666667 0.166667 ] [ 0.666667 0.333333 0.0266 ] [ 0.333333 0.666667 0.9734 ] [ 0.666667 0.333333 0.333333 ] [ 1 0 0.5 ] [ 0.333333 0.666667 0.359933 ] [ 0 0 0.306734 ] [ 0.333333 0.666667 0.666667 ] [ 0.666667 0.333333 0.833333 ] [ 0 0 0.693266 ] [ 0.666667 0.333333 0.640067 ] [ 0.032663 0.678453 0.07481 ] [ 0.35421 0.032663 0.92519 ] [ 0.678453 0.64579 0.92519 ] [ 0.321547 0.35421 0.07481 ] [ 0.64579 0.967337 0.07481 ] [ 0.967337 0.321547 0.92519 ] [ 0.69933 0.011787 0.408143 ] [ 0.020876 0.365996 0.258523 ] [ 0.34512 0.979124 0.258523 ] [ 0.988213 0.687543 0.408143 ] [ 0.312457 0.30067 0.408143 ] [ 0.634004 0.65488 0.258523 ] [ 0.365996 0.34512 0.741477 ] [ 0.687543 0.69933 0.591857 ] [ 0.011787 0.312457 0.591857 ] [ 0.65488 0.020876 0.741477 ] [ 0.979124 0.634004 0.741477 ] [ 0.30067 0.988213 0.591857 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" 4.84880098 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }