{ "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 ] [ 0 0 0.5 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.907753 ] [ 0.666667 0.333333 0.407753 ] [ 0.666667 0.333333 0.092247 ] [ 0.333333 0.666667 0.592247 ] [ 0.333333 0.666667 0.163837 ] [ 0.666667 0.333333 0.663837 ] [ 0.666667 0.333333 0.836163 ] [ 0.333333 0.666667 0.336163 ] [ 0.492053 0.984106 0.25 ] [ 0.507947 0.492053 0.75 ] [ 0.984106 0.492053 0.75 ] [ 0.015894 0.507947 0.25 ] [ 0.492053 0.507947 0.25 ] [ 0.507947 0.015894 0.75 ] [ 0.178465 0.356929 0.410257 ] [ 0.821535 0.178465 0.910257 ] [ 0.356929 0.178465 0.910257 ] [ 0.643071 0.821535 0.410257 ] [ 0.178465 0.821535 0.410257 ] [ 0.821535 0.643071 0.589743 ] [ 0.821535 0.178465 0.589743 ] [ 0.821535 0.643071 0.910257 ] [ 0.356929 0.178465 0.589743 ] [ 0.643071 0.821535 0.089743 ] [ 0.178465 0.356929 0.089743 ] [ 0.178465 0.821535 0.089743 ] ] } "species" { "source-value" [ "Yb" "Yb" "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" 5.96669894682 "source-unit" "angstrom" } "c" { "source-value" 14.44656776 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.81733133 "source-unit" "eV" } }