{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.798912 0.597824 0.997039 ] [ 0.402176 0.201088 0.997039 ] [ 0.666667 0.333333 0.584705 ] [ 0.201088 0.798912 0.497039 ] [ 0.597824 0.798912 0.497039 ] [ 0.201088 0.402176 0.497039 ] [ 0.333333 0.666667 0.084705 ] [ 0.798912 0.201088 0.997039 ] [ 0.534752 0.069503 0.29315 ] [ 0.465248 0.930497 0.79315 ] [ 0.534752 0.465248 0.29315 ] [ 0.139155 0.860845 0.114368 ] [ 0.721689 0.860845 0.114368 ] [ 0.860845 0.721689 0.614368 ] [ 0.069503 0.534752 0.79315 ] [ 0.930497 0.465248 0.29315 ] [ 0.278311 0.139155 0.614368 ] [ 0.139155 0.278311 0.114368 ] [ 0.465248 0.534752 0.79315 ] [ 0.860845 0.139155 0.614368 ] [ 0.333333 0.666667 0.396921 ] [ 0.666667 0.333333 0.896921 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 9.99661458688 "source-unit" "angstrom" } "c" { "source-value" 7.67159353 "source-unit" "angstrom" } }