{ "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" [ [ 0.666667 0.333333 0.965905 ] [ 0.333333 0.666667 0.034095 ] [ 0.333333 0.666667 0.299238 ] [ 0 0 0.367428 ] [ 0 0 0.632572 ] [ 0.666667 0.333333 0.700762 ] [ 0 0 0.840468 ] [ 0 0 0.159532 ] [ 0.666667 0.333333 0.173801 ] [ 0.666667 0.333333 0.492866 ] [ 0.333333 0.666667 0.507134 ] [ 0.333333 0.666667 0.826199 ] [ 0.344059 0.283383 0.095629 ] [ 0.939325 0.655941 0.095629 ] [ 0.716617 0.060675 0.095629 ] [ 0.655941 0.716617 0.904371 ] [ 0.283383 0.939325 0.904371 ] [ 0.060675 0.344059 0.904371 ] [ 0.010726 0.616717 0.428962 ] [ 0.605991 0.989274 0.428962 ] [ 0.383283 0.394009 0.428962 ] [ 0.322608 0.04995 0.237705 ] [ 0.95005 0.272658 0.237705 ] [ 0.727342 0.677392 0.237705 ] [ 0.677392 0.95005 0.762295 ] [ 0.272658 0.322608 0.762295 ] [ 0.04995 0.727342 0.762295 ] [ 0.989274 0.383283 0.571038 ] [ 0.616717 0.605991 0.571038 ] [ 0.394009 0.010726 0.571038 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 5.19441127 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }