{ "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 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.329955 ] [ 0.666667 0.333333 0.663289 ] [ 0.333333 0.666667 0.996622 ] [ 0.327532 0.327532 0.5 ] [ 0.994198 0.660865 0.833333 ] [ 0.660865 0.994198 0.166667 ] [ 0 0.672468 0.5 ] [ 0.666667 0.005802 0.833333 ] [ 0.333333 0.339135 0.166667 ] [ 0.672468 1 0.5 ] [ 0.339135 0.333333 0.833333 ] [ 0.005802 0.666667 0.166667 ] [ 0 0 0.670045 ] [ 0.666667 0.333333 0.003378 ] [ 0.333333 0.666667 0.336711 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.2037574671 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }