{ "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 0 0.480682 ] [ 0.666667 0.333333 0.814015 ] [ 0.333333 0.666667 0.147349 ] [ 0.700881 0.837576 0.777813 ] [ 0.367548 0.170909 0.111146 ] [ 0.034215 0.504242 0.44448 ] [ 0.136694 0.299119 0.777813 ] [ 0.803361 0.632452 0.111146 ] [ 0.470027 0.965785 0.44448 ] [ 0.162424 0.863306 0.777813 ] [ 0.829091 0.196639 0.111146 ] [ 0.495758 0.529973 0.44448 ] [ 0 0 0.205352 ] [ 0.666667 0.333333 0.538685 ] [ 0.333333 0.666667 0.872018 ] [ 0.101426 0.192483 0.253115 ] [ 0.768093 0.525816 0.586448 ] [ 0.434759 0.85915 0.919781 ] [ 0.091057 0.898574 0.253115 ] [ 0.757724 0.231907 0.586448 ] [ 0.42439 0.565241 0.919781 ] [ 0.807517 0.908943 0.253115 ] [ 0.474184 0.242276 0.586448 ] [ 0.14085 0.57561 0.919781 ] [ 0 0 0.061586 ] [ 0.666667 0.333333 0.394919 ] [ 0.333333 0.666667 0.728252 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "C" "C" "C" "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" 8.1868751011 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }