{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.783595 ] [ 0.666667 0.333333 0.116929 ] [ 0.333333 0.666667 0.450262 ] [ 0 0 0.216405 ] [ 0.666667 0.333333 0.549738 ] [ 0.333333 0.666667 0.883071 ] [ 0 0 0.610804 ] [ 0.666667 0.333333 0.944137 ] [ 0.333333 0.666667 0.277471 ] [ 0 0 0.389196 ] [ 0.666667 0.333333 0.722529 ] [ 0.333333 0.666667 0.055863 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.76489189156 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }