{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0 0 0.5 ] [ 0.29216 0 0 ] [ 0.29216 0.29216 0 ] [ 0 0.70784 0 ] [ 0 0.29216 0 ] [ 0.70784 0.70784 0 ] [ 0.70784 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.183174 0.366348 0.5 ] [ 0.816826 0.183174 0.5 ] [ 0.366348 0.183174 0.5 ] [ 0.633652 0.816826 0.5 ] [ 0.183174 0.816826 0.5 ] [ 0.816826 0.633652 0.5 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 9.00367502218 "source-unit" "angstrom" } "c" { "source-value" 4.06369153 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.777812063333333 "source-unit" "eV" } }