{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.401905 ] [ 0.333333 0.666667 0.901905 ] [ 0.666667 0.333333 0.098095 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.598095 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.165297 ] [ 0.333333 0.666667 0.334703 ] [ 0.666667 0.333333 0.665297 ] [ 0.666667 0.333333 0.834703 ] [ 0.357843 0.178921 0.591377 ] [ 0.821079 0.642157 0.908623 ] [ 0.821079 0.178921 0.908623 ] [ 0.982577 0.491289 0.75 ] [ 0.178921 0.821079 0.091377 ] [ 0.508711 0.017423 0.75 ] [ 0.178921 0.357843 0.408623 ] [ 0.491289 0.982577 0.25 ] [ 0.357843 0.178921 0.908623 ] [ 0.017423 0.508711 0.25 ] [ 0.491289 0.508711 0.25 ] [ 0.642157 0.821079 0.408623 ] [ 0.642157 0.821079 0.091377 ] [ 0.508711 0.491289 0.75 ] [ 0.178921 0.357843 0.091377 ] [ 0.821079 0.178921 0.591377 ] [ 0.821079 0.642157 0.591377 ] [ 0.178921 0.821079 0.408623 ] ] } "species" { "source-value" [ "Eu" "Eu" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ru" "Ru" "Ru" "Ru" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.00928299784 "source-unit" "angstrom" } "c" { "source-value" 14.72075774 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.365095829666667 "source-unit" "eV" } }