{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.703933 0 0.75 ] [ 0.703933 0.703933 0.25 ] [ 0.296067 0 0.25 ] [ 0.296067 0.296067 0.75 ] [ 0 0.703933 0.75 ] [ 0 0.296067 0.25 ] ] } "species" { "source-value" [ "Zr" "Zr" "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" 7.49463483347 "source-unit" "angstrom" } "c" { "source-value" 6.28464502 "source-unit" "angstrom" } }