{ "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 ] [ 0.946575 0.662075 0.415505 ] [ 0.613241 0.995408 0.748838 ] [ 0.279908 0.328741 0.082171 ] [ 0.337925 0.2845 0.415505 ] [ 0.004592 0.617833 0.748838 ] [ 0.671259 0.951167 0.082171 ] [ 0.2845 0.946575 0.584495 ] [ 0.951167 0.279908 0.917829 ] [ 0.617833 0.613241 0.251162 ] [ 0.662075 0.7155 0.584495 ] [ 0.328741 0.048833 0.917829 ] [ 0.995408 0.382167 0.251162 ] [ 0.053425 0.337925 0.584495 ] [ 0.720092 0.671259 0.917829 ] [ 0.386759 0.004592 0.251162 ] [ 0.7155 0.053425 0.415505 ] [ 0.382167 0.386759 0.748838 ] [ 0.048833 0.720092 0.082171 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Sn" "Sn" "Sn" "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" 5.33156857113 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }