{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.509248 ] [ 0 0 0.472207 ] [ 0.666667 0.333333 0.451394 ] [ 0.011499 0.341082 0.24564 ] [ 0.989492 0.661403 0.709777 ] [ 0.338597 0.328089 0.709777 ] [ 0.329583 0.988501 0.24564 ] [ 0.671911 0.010508 0.709777 ] [ 0.658918 0.670417 0.24564 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.18384244169 "source-unit" "angstrom" } "c" { "source-value" 6.82696904 "source-unit" "angstrom" } }