{ "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 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.834787 0.669574 0.75 ] [ 0.165213 0.834787 0.25 ] [ 0.333333 0.666667 0.96821 ] [ 0.666667 0.333333 0.46821 ] [ 0.666667 0.333333 0.03179 ] [ 0.333333 0.666667 0.53179 ] [ 0.165213 0.330426 0.25 ] [ 0.834787 0.165213 0.75 ] [ 0.330426 0.165213 0.75 ] [ 0.669574 0.834787 0.25 ] ] } "species" { "source-value" [ "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 8.01024656866 "source-unit" "angstrom" } "c" { "source-value" 8.43475887 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.872801555 "source-unit" "eV" } }