{ "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 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.910215 ] [ 0.666667 0.333333 0.410215 ] [ 0.666667 0.333333 0.089785 ] [ 0.333333 0.666667 0.589785 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.153292 ] [ 0.666667 0.333333 0.653292 ] [ 0.666667 0.333333 0.846708 ] [ 0.333333 0.666667 0.346708 ] [ 0.517975 0.482025 0.75 ] [ 0.482025 0.517975 0.25 ] [ 0.517975 0.035951 0.75 ] [ 0.482025 0.964049 0.25 ] [ 0.035951 0.517975 0.25 ] [ 0.964049 0.482025 0.75 ] [ 0.836108 0.163892 0.919432 ] [ 0.163892 0.836108 0.419432 ] [ 0.163892 0.836108 0.080568 ] [ 0.836108 0.163892 0.580568 ] [ 0.327785 0.163892 0.919432 ] [ 0.672215 0.836108 0.419432 ] [ 0.163892 0.327785 0.080568 ] [ 0.836108 0.672215 0.580568 ] [ 0.672215 0.836108 0.080568 ] [ 0.327785 0.163892 0.580568 ] [ 0.836108 0.672215 0.919432 ] [ 0.163892 0.327785 0.419432 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Co" "Co" "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" 5.80034122265 "source-unit" "angstrom" } "c" { "source-value" 14.30015132 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.703437976999999 "source-unit" "eV" } }