{ "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 0.83747 ] [ 0 0 0.16253 ] [ 0.666667 0.333333 0.170804 ] [ 0.666667 0.333333 0.495863 ] [ 0.333333 0.666667 0.504137 ] [ 0.333333 0.666667 0.829196 ] [ 0.666667 0.333333 0.93975 ] [ 0.333333 0.666667 0.06025 ] [ 0.333333 0.666667 0.273083 ] [ 0 0 0.393584 ] [ 0 0 0.606416 ] [ 0.666667 0.333333 0.726917 ] [ 0.009275 0.676326 0.889035 ] [ 0.667051 0.990725 0.889035 ] [ 0.323674 0.332949 0.889035 ] [ 0.676326 0.667051 0.110965 ] [ 0.332949 0.009275 0.110965 ] [ 0.990725 0.323674 0.110965 ] [ 0.675942 0.009659 0.222368 ] [ 0.333717 0.324058 0.222368 ] [ 0.990341 0.666283 0.222368 ] [ 0.342992 0.000384 0.444298 ] [ 0.999616 0.342608 0.444298 ] [ 0.657392 0.657008 0.444298 ] [ 0.342608 0.342992 0.555702 ] [ 0.000384 0.657392 0.555702 ] [ 0.657008 0.999616 0.555702 ] [ 0.009659 0.333717 0.777632 ] [ 0.666283 0.675942 0.777632 ] [ 0.324058 0.990341 0.777632 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 5.04501716 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }