{ "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" [ [ 0.376195 0.399177 0.90292 ] [ 0.977017 0.376195 0.09708 ] [ 0.399177 0.022983 0.09708 ] [ 0.600823 0.977017 0.90292 ] [ 0.022983 0.623805 0.90292 ] [ 0.623805 0.600823 0.09708 ] [ 0.042861 0.732511 0.236253 ] [ 0.643684 0.709528 0.430414 ] [ 0.065844 0.356316 0.430414 ] [ 0.267489 0.31035 0.236253 ] [ 0.68965 0.957139 0.236253 ] [ 0.290472 0.934156 0.430414 ] [ 0.709528 0.065844 0.569586 ] [ 0.31035 0.042861 0.763747 ] [ 0.732511 0.68965 0.763747 ] [ 0.934156 0.643684 0.569586 ] [ 0.356316 0.290472 0.569586 ] [ 0.957139 0.267489 0.763747 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.012972 0.72946 0.07913 ] [ 0.283512 0.012972 0.92087 ] [ 0.72946 0.716488 0.92087 ] [ 0.27054 0.283512 0.07913 ] [ 0.716488 0.987028 0.07913 ] [ 0.987028 0.27054 0.92087 ] [ 0.679639 0.062793 0.412463 ] [ 0.950179 0.346305 0.254203 ] [ 0.396127 0.049821 0.254203 ] [ 0.937207 0.616845 0.412463 ] [ 0.383155 0.320361 0.412463 ] [ 0.653695 0.603873 0.254203 ] [ 0.346305 0.396127 0.745797 ] [ 0.616845 0.679639 0.587537 ] [ 0.062793 0.383155 0.587537 ] [ 0.603873 0.950179 0.745797 ] [ 0.049821 0.653695 0.745797 ] [ 0.320361 0.937207 0.587537 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "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" 5.77937216 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }