{ "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" [ [ 0.666667 0.333333 0.333145 ] [ 0.333333 0.666667 0.666855 ] [ 0 0 0 ] [ 0.333333 0.666667 0.077913 ] [ 0.333333 0.666667 0.411068 ] [ 0.666667 0.333333 0.922087 ] [ 0.666667 0.333333 0.588932 ] [ 0 0 0.25517 ] [ 0 0 0.74483 ] ] } "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" 4.33237021082 "source-unit" "angstrom" } "c" { "source-value" 22.16084356 "source-unit" "angstrom" } }