{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.910805 0.610302 0.25 ] [ 0.089195 0.389698 0.75 ] [ 0.610302 0.699497 0.75 ] [ 0.389698 0.300503 0.25 ] [ 0.300503 0.910805 0.75 ] [ 0.699497 0.089195 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "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" 8.17500784571 "source-unit" "angstrom" } "c" { "source-value" 4.35700231 "source-unit" "angstrom" } }