{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.498925 0.193593 0.673492 ] [ 0.501075 0.694668 0.659841 ] [ 0.305332 0.806407 0.993175 ] [ 0.703338 0 0.333333 ] [ 0.694668 0.501075 0.340159 ] [ 0.806407 0.305332 0.006825 ] [ 0.296662 0.296662 0 ] [ 0 0.703338 0.666667 ] [ 0.193593 0.498925 0.326508 ] [ 0 0.228337 0.666667 ] [ 0.771663 0.771663 0 ] [ 0.228337 0 0.333333 ] [ 0.121358 0.411758 0.576313 ] [ 0.143756 0.47286 0.045464 ] [ 0.7096 0.588242 0.090353 ] [ 0.153366 0.188126 0.73988 ] [ 0.2904 0.878642 0.24298 ] [ 0.856244 0.329104 0.28787 ] [ 0.52714 0.670896 0.378797 ] [ 0.670896 0.52714 0.621203 ] [ 0.034759 0.846634 0.406546 ] [ 0.811874 0.965241 0.073213 ] [ 0.588242 0.7096 0.909647 ] [ 0.965241 0.811874 0.926787 ] [ 0.846634 0.034759 0.593454 ] [ 0.329104 0.856244 0.71213 ] [ 0.47286 0.143756 0.954536 ] [ 0.411758 0.121358 0.423687 ] [ 0.188126 0.153366 0.26012 ] [ 0.878642 0.2904 0.75702 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.17914091726 "source-unit" "angstrom" } "c" { "source-value" 10.64478049 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.246134905 "source-unit" "eV" } }