{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.999185 ] [ 0.666667 0.333333 0.332518 ] [ 0.333333 0.666667 0.665851 ] [ 0 0 0.410635 ] [ 0.666667 0.333333 0.743968 ] [ 0.333333 0.666667 0.077301 ] [ 0 0 0.624146 ] [ 0.666667 0.333333 0.95748 ] [ 0.333333 0.666667 0.290813 ] [ 0 0 0.477034 ] [ 0.666667 0.333333 0.810368 ] [ 0.333333 0.666667 0.143701 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.723544537 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }