{ "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 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.288351 0.34726 0.586318 ] [ 0.955017 0.680594 0.919652 ] [ 0.621684 0.013927 0.252985 ] [ 0.058909 0.711649 0.586318 ] [ 0.725576 0.044983 0.919652 ] [ 0.392243 0.378316 0.252985 ] [ 0.34726 0.058909 0.413682 ] [ 0.013927 0.392243 0.747015 ] [ 0.680594 0.725576 0.080348 ] [ 0.65274 0.941091 0.586318 ] [ 0.319406 0.274424 0.919652 ] [ 0.986073 0.607757 0.252985 ] [ 0.941091 0.288351 0.413682 ] [ 0.607757 0.621684 0.747015 ] [ 0.274424 0.955017 0.080348 ] [ 0.711649 0.65274 0.413682 ] [ 0.378316 0.986073 0.747015 ] [ 0.044983 0.319406 0.080348 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ir" "Ir" "Ir" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.22066415018 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }