{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.137837 ] [ 0.333333 0.666667 0.362163 ] [ 0.666667 0.333333 0.862163 ] [ 0.666667 0.333333 0.637837 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.659495 ] [ 0.666667 0.333333 0.159495 ] [ 0.666667 0.333333 0.340505 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.840505 ] [ 0 0 0 ] [ 0.544153 0.455847 0.25 ] [ 0.73079 0.865395 0.084812 ] [ 0.73079 0.865395 0.415188 ] [ 0.26921 0.134605 0.915188 ] [ 0.134605 0.865395 0.084812 ] [ 0.865395 0.134605 0.584812 ] [ 0.455847 0.911694 0.75 ] [ 0.134605 0.865395 0.415188 ] [ 0.134605 0.26921 0.415188 ] [ 0.544153 0.088306 0.25 ] [ 0.26921 0.134605 0.584812 ] [ 0.134605 0.26921 0.084812 ] [ 0.865395 0.134605 0.915188 ] [ 0.088306 0.544153 0.75 ] [ 0.455847 0.544153 0.75 ] [ 0.911694 0.455847 0.25 ] [ 0.865395 0.73079 0.915188 ] [ 0.865395 0.73079 0.584812 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.90687534118 "source-unit" "angstrom" } "c" { "source-value" 14.35836508 "source-unit" "angstrom" } }