{ "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" [ [ 0.666667 0.333333 0.532773 ] [ 0.333333 0.666667 0.032773 ] [ 0.333333 0.666667 0.467227 ] [ 0.666667 0.333333 0.967227 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.834134 0.165866 0.147931 ] [ 0.165866 0.834134 0.647931 ] [ 0.834134 0.668268 0.147931 ] [ 0.331732 0.165866 0.147931 ] [ 0.668268 0.834134 0.647931 ] [ 0.165866 0.331732 0.647931 ] [ 0.165866 0.834134 0.852069 ] [ 0.668268 0.834134 0.852069 ] [ 0.165866 0.331732 0.852069 ] [ 0.834134 0.668268 0.352069 ] [ 0.331732 0.165866 0.352069 ] [ 0.834134 0.165866 0.352069 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.25 ] [ 0 0 0.75 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.98257641 "source-unit" "angstrom" } "c" { "source-value" 14.14137069 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.17537339 "source-unit" "eV" } }