{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.749982 ] [ 0.333333 0.666667 0.250018 ] [ 0 0 0.5 ] [ 0 0 0.308319 ] [ 0.666667 0.333333 0.441729 ] [ 0 0 0.691681 ] [ 0.333333 0.666667 0.558271 ] [ 0.333333 0.666667 0.808262 ] [ 0.666667 0.333333 0.94172 ] [ 0.666667 0.333333 0.191738 ] [ 0.333333 0.666667 0.05828 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "I" "I" "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" 4.33289132946 "source-unit" "angstrom" } "c" { "source-value" 29.63997593 "source-unit" "angstrom" } }