{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.083349 ] [ 0 0 0.416677 ] [ 0 0 0.749966 ] [ 0.666667 0.333333 0.672131 ] [ 0.333333 0.666667 0.827798 ] [ 0.333333 0.666667 0.161156 ] [ 0.666667 0.333333 0.338852 ] [ 0 0 0.005568 ] [ 0.333333 0.666667 0.494502 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.33080257345 "source-unit" "angstrom" } "c" { "source-value" 22.20993038 "source-unit" "angstrom" } }