{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R32" } "basis-atom-coordinates" { "source-value" [ [ 0.74391 0 0.5 ] [ 0.410577 0.333333 0.833333 ] [ 0.077244 0.666667 0.166667 ] [ 0.25609 0.25609 0.5 ] [ 0.922756 0.589423 0.833333 ] [ 0.589423 0.922756 0.166667 ] [ 1 0.74391 0.5 ] [ 0.666667 0.077244 0.833333 ] [ 0.333333 0.410577 0.166667 ] [ 0 0 0.745374 ] [ 0.666667 0.333333 0.078707 ] [ 0.333333 0.666667 0.41204 ] [ 0 0 0.254626 ] [ 0.666667 0.333333 0.58796 ] [ 0.333333 0.666667 0.921293 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.70965085809 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }