{ "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 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.433795 ] [ 0.666667 0.333333 0.566205 ] [ 0.666667 0.333333 0.933795 ] [ 0.333333 0.666667 0.066205 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.163054 0.836946 0.906936 ] [ 0.163054 0.326108 0.906936 ] [ 0.673892 0.836946 0.906936 ] [ 0.836946 0.163054 0.093064 ] [ 0.836946 0.673892 0.093064 ] [ 0.326108 0.163054 0.093064 ] [ 0.836946 0.163054 0.406936 ] [ 0.836946 0.673892 0.406936 ] [ 0.326108 0.163054 0.406936 ] [ 0.163054 0.836946 0.593064 ] [ 0.163054 0.326108 0.593064 ] [ 0.673892 0.836946 0.593064 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mn" "Mn" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.6748792517 "source-unit" "angstrom" } "c" { "source-value" 10.27122933 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.6674910431818186 "source-unit" "eV" } }