{ "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 0 0.543153 ] [ 0.333333 0.666667 0.827128 ] [ 0.333333 0.666667 0.264436 ] [ 0 0 0.344792 ] [ 0.666667 0.333333 0.899294 ] [ 0.333333 0.666667 0.625928 ] [ 0.333333 0.666667 0.10027 ] ] } "species" { "source-value" [ "Cd" "In" "Ga" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05669354283 "source-unit" "angstrom" } "c" { "source-value" 12.71508976 "source-unit" "angstrom" } }