{ "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" [ [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] [ 0.742948 0.742948 0.187056 ] [ 0.257052 0.257052 0.812944 ] [ 0.257052 0 0.187056 ] [ 0 0.257052 0.187056 ] [ 0 0.742948 0.812944 ] [ 0.742948 0 0.812944 ] [ 0.609803 0 0.684296 ] [ 0 0.609803 0.684296 ] [ 0.390197 0 0.315704 ] [ 0 0.390197 0.315704 ] [ 0.390197 0.390197 0.684296 ] [ 0.609803 0.609803 0.315704 ] ] } "species" { "source-value" [ "Mn" "Mn" "Os" "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" 6.08500666703 "source-unit" "angstrom" } "c" { "source-value" 6.75369365 "source-unit" "angstrom" } }