{ "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 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.197924 0.395848 0.25 ] [ 0.604152 0.802076 0.25 ] [ 0.197924 0.802076 0.25 ] [ 0.802076 0.604152 0.75 ] [ 0.395848 0.197924 0.75 ] [ 0.802076 0.197924 0.75 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.569338 0.138676 0.528958 ] [ 0.861324 0.430662 0.528958 ] [ 0.569338 0.430662 0.528958 ] [ 0.430662 0.861324 0.471042 ] [ 0.138676 0.569338 0.471042 ] [ 0.430662 0.569338 0.471042 ] [ 0.430662 0.861324 0.028958 ] [ 0.138676 0.569338 0.028958 ] [ 0.430662 0.569338 0.028958 ] [ 0.569338 0.138676 0.971042 ] [ 0.861324 0.430662 0.971042 ] [ 0.569338 0.430662 0.971042 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "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" 10.19065453 "source-unit" "angstrom" } "c" { "source-value" 6.93190151 "source-unit" "angstrom" } }