{ "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 0.050028 ] [ 0.333333 0.666667 0.85001 ] [ 0.333333 0.666667 0.44996 ] [ 0.333333 0.666667 0.650049 ] [ 0.333333 0.666667 0.24994 ] [ 0 0 0.203298 ] [ 0.666667 0.333333 0.896636 ] [ 0.333333 0.666667 0.096656 ] [ 0.666667 0.333333 0.296576 ] [ 0 0 0.003421 ] [ 0.666667 0.333333 0.496599 ] [ 0.666667 0.333333 0.696672 ] [ 0 0 0.403335 ] [ 0 0 0.603438 ] [ 0 0 0.803382 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "I" "I" "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" 4.33336272006 "source-unit" "angstrom" } "c" { "source-value" 37.01659846 "source-unit" "angstrom" } }