{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_221" } "basis-atom-coordinates" { "source-value" [ [ 0 0.601263 0.833333 ] [ 0.398737 0.398737 0.5 ] [ 0.601263 0 0.166667 ] [ 0.877207 0.216282 0.542488 ] [ 0.216282 0.877207 0.457512 ] [ 0.122793 0.339075 0.124178 ] [ 0.783718 0.660925 0.209155 ] [ 0.339075 0.122793 0.875822 ] [ 0.660925 0.783718 0.790845 ] [ 0.870265 0.870265 0.5 ] [ 0.129735 0 0.166667 ] [ 0.490023 0.490023 0 ] [ 0 0.509977 0.333333 ] [ 0.509977 0 0.666667 ] [ 0 0.129735 0.833333 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "P" "P" "P" "P" "P" "P" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.78368512708 "source-unit" "angstrom" } "c" { "source-value" 7.14940739 "source-unit" "angstrom" } }