{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.799005 0 0.163192 ] [ 0 0.799005 0.163192 ] [ 0.200995 0.200995 0.163192 ] [ 0 0.200995 0.836808 ] [ 0.200995 0 0.836808 ] [ 0.799005 0.799005 0.836808 ] [ 0 0.320982 0.726944 ] [ 0.320982 0.320982 0.273056 ] [ 0 0.679018 0.273056 ] [ 0.679018 0 0.273056 ] [ 0.320982 0 0.726944 ] [ 0.679018 0.679018 0.726944 ] ] } "species" { "source-value" [ "Co" "Ag" "Ag" "Ag" "C" "C" "C" "C" "C" "C" "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" } "a" { "source-value" 7.48897715 "source-unit" "angstrom" } "c" { "source-value" 6.80579227 "source-unit" "angstrom" } }