{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.999243 0.5 ] [ 0 0.164653 0.5 ] [ 0 0.499243 0.5 ] [ 0.5 0.664653 0.5 ] [ 0.5 0.170116 0 ] [ 0.5 0.834137 0 ] [ 0 0.670116 0 ] [ 0 0.334137 0 ] [ 0 0.999382 0 ] [ 0.5 0.499382 0 ] [ 0.234835 0.163328 0.210156 ] [ 0.262829 0.004466 0.793959 ] [ 0.765165 0.163328 0.789844 ] [ 0.245655 0.83233 0.204352 ] [ 0.737171 0.004466 0.206041 ] [ 0.754345 0.83233 0.795648 ] [ 0.734835 0.663328 0.210156 ] [ 0.762829 0.504466 0.793959 ] [ 0.265165 0.663328 0.789844 ] [ 0.745655 0.33233 0.204352 ] [ 0.237171 0.504466 0.206041 ] [ 0.254345 0.33233 0.795648 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Fe" "Fe" "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" 4.89145676 "source-unit" "angstrom" } "b" { "source-value" 8.51612964 "source-unit" "angstrom" } "c" { "source-value" 5.16771699 "source-unit" "angstrom" } "beta" { "source-value" 109.10945294 "source-unit" "degree" } }