{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.277123 0.138828 0.25 ] [ 0.861704 0.722877 0.25 ] [ 0.138828 0.861704 0.75 ] [ 0.861172 0.138296 0.25 ] [ 0.138296 0.277123 0.75 ] [ 0.722877 0.861172 0.75 ] [ 0.398993 0.084911 0.25 ] [ 0.685918 0.601007 0.25 ] [ 0.084911 0.685918 0.75 ] [ 0.915089 0.314082 0.25 ] [ 0.314082 0.398993 0.75 ] [ 0.601007 0.915089 0.75 ] ] } "species" { "source-value" [ "Lu" "Lu" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.22553959 "source-unit" "angstrom" } "c" { "source-value" 3.46340777 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.172018608571428 "source-unit" "eV" } }