{ "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" [ [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0 0 0 ] [ 0.247407 0 0.183982 ] [ 0 0.752593 0.816018 ] [ 0.752593 0.752593 0.183982 ] [ 0.752593 0 0.816018 ] [ 0 0.247407 0.183982 ] [ 0.247407 0.247407 0.816018 ] [ 0.38385 0.38385 0.696454 ] [ 0 0.38385 0.303546 ] [ 0.61615 0.61615 0.303546 ] [ 0.38385 0 0.303546 ] [ 0 0.61615 0.696454 ] [ 0.61615 0 0.696454 ] ] } "species" { "source-value" [ "Cd" "Cd" "Ru" "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" 6.44946914019 "source-unit" "angstrom" } "c" { "source-value" 6.63529159 "source-unit" "angstrom" } }