{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.83251 ] [ 0 0 0.16749 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.380228 0 0.63476 ] [ 0 0.380228 0.63476 ] [ 0.619772 0.619772 0.63476 ] [ 0 0.619772 0.36524 ] [ 0.380228 0.380228 0.36524 ] [ 0.619772 0 0.36524 ] ] } "species" { "source-value" [ "Hg" "Hg" "As" "As" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.9587194682 "source-unit" "angstrom" } "c" { "source-value" 7.77621108 "source-unit" "angstrom" } }