{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.045057 ] [ 0.666667 0.333333 0.545057 ] [ 0.125193 0.874807 0.249636 ] [ 0.250386 0.125193 0.749636 ] [ 0.874807 0.749614 0.749636 ] [ 0.125193 0.250386 0.249636 ] [ 0.749614 0.874807 0.249636 ] [ 0.874807 0.125193 0.749636 ] [ 0.542437 0.457563 0.065983 ] [ 0.084874 0.542437 0.565983 ] [ 0.457563 0.915126 0.565983 ] [ 0.542437 0.084874 0.065983 ] [ 0.915126 0.457563 0.065983 ] [ 0.457563 0.542437 0.565983 ] [ 0.811713 0.188287 0.331362 ] [ 0.623427 0.811713 0.831362 ] [ 0.188287 0.376573 0.831362 ] [ 0.811713 0.623427 0.331362 ] [ 0.376573 0.188287 0.331362 ] [ 0.188287 0.811713 0.831362 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.1726916897 "source-unit" "angstrom" } "c" { "source-value" 7.20690084 "source-unit" "angstrom" } }