{ "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 0 0.093023 ] [ 0 0 0.593023 ] [ 0 0 0.906977 ] [ 0 0 0.406977 ] [ 0.333333 0.666667 0.843349 ] [ 0.666667 0.333333 0.343349 ] [ 0.666667 0.333333 0.156651 ] [ 0.333333 0.666667 0.656651 ] [ 0.333333 0.666667 0.125057 ] [ 0.666667 0.333333 0.625057 ] [ 0.666667 0.333333 0.874943 ] [ 0.333333 0.666667 0.374943 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.163941 0.327883 0.25 ] [ 0.836059 0.163941 0.75 ] [ 0.327883 0.163941 0.75 ] [ 0.672117 0.836059 0.25 ] [ 0.163941 0.836059 0.25 ] [ 0.836059 0.672117 0.75 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "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" 4.94519611214 "source-unit" "angstrom" } "c" { "source-value" 16.41528585 "source-unit" "angstrom" } }