{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.177344 ] [ 0 0 0.68958 ] [ 0.333333 0.666667 0.822656 ] [ 0.666667 0.333333 0.822656 ] [ 0.666667 0.333333 0.177344 ] [ 0 0 0.31042 ] [ 0 0.360819 0.331276 ] [ 0.686124 0 0.831258 ] [ 0 0.722639 0.5 ] [ 0 0.686124 0.831258 ] [ 0.313876 0.313876 0.168742 ] [ 0.277361 0.277361 0.5 ] [ 0 0.686124 0.168742 ] [ 0.722639 0 0.5 ] [ 0.360819 0 0.331276 ] [ 0.639181 0.639181 0.668724 ] [ 0.368292 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.360819 0 0.668724 ] [ 0 0 0 ] [ 0.313876 0.313876 0.831258 ] [ 0.631708 0.631708 0 ] [ 0.686124 0 0.168742 ] [ 0.639181 0.639181 0.331276 ] [ 0 0.368292 0 ] [ 0.333333 0.666667 0.5 ] [ 0 0.360819 0.668724 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" 7.84077923871 "source-unit" "angstrom" } "c" { "source-value" 9.02118445 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.319098389259259 "source-unit" "eV" } }