{ "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 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0.342213 0.298614 0.414868 ] [ 0.00888 0.631947 0.748201 ] [ 0.675547 0.96528 0.081534 ] [ 0.9564 0.657787 0.414868 ] [ 0.623067 0.99112 0.748201 ] [ 0.289734 0.324453 0.081534 ] [ 0.298614 0.9564 0.585132 ] [ 0.96528 0.289734 0.918466 ] [ 0.631947 0.623067 0.251799 ] [ 0.0436 0.342213 0.585132 ] [ 0.710266 0.675547 0.918466 ] [ 0.376933 0.00888 0.251799 ] [ 0.657787 0.701386 0.585132 ] [ 0.324453 0.03472 0.918466 ] [ 0.99112 0.368053 0.251799 ] [ 0.701386 0.0436 0.414868 ] [ 0.368053 0.376933 0.748201 ] [ 0.03472 0.710266 0.081534 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Pb" "Pb" "Pb" "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" 5.29854093872 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }