{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.976074 0.628251 0.359714 ] [ 0.652177 0.023926 0.359714 ] [ 0.023926 0.371749 0.640286 ] [ 0.628251 0.976074 0.859714 ] [ 0.347823 0.371749 0.859714 ] [ 0.628251 0.652177 0.640286 ] [ 0.371749 0.023926 0.140286 ] [ 0.976074 0.347823 0.140286 ] [ 0.023926 0.652177 0.859714 ] [ 0.347823 0.976074 0.640286 ] [ 0.371749 0.347823 0.359714 ] [ 0.652177 0.628251 0.140286 ] ] } "species" { "source-value" [ "Li" "Li" "Cd" "Cd" "Co" "Co" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 5.10026834183 "source-unit" "angstrom" } "c" { "source-value" 9.63709396 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.352777137222223 "source-unit" "eV" } }