{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_122" } "basis-atom-coordinates" { "source-value" [ [ 0.646021 0.292041 0.75 ] [ 0.353979 0.646021 0.916667 ] [ 0.292041 0.646021 0.583333 ] [ 0.707959 0.353979 0.083333 ] [ 0.646021 0.353979 0.416667 ] [ 0.353979 0.707959 0.25 ] [ 0.932576 0 0.5 ] [ 0.932576 0.932576 0.666667 ] [ 0 0.067424 0.333333 ] [ 0 0.932576 0.833333 ] [ 0.067424 0.067424 0.166667 ] [ 0.067424 0 0 ] [ 0.359061 0.147922 0.927218 ] [ 0.852078 0.211139 0.260552 ] [ 0.788861 0.640939 0.593885 ] [ 0.211139 0.359061 0.093885 ] [ 0.640939 0.788861 0.739448 ] [ 0.640939 0.852078 0.427218 ] [ 0.147922 0.788861 0.760552 ] [ 0.852078 0.640939 0.906115 ] [ 0.788861 0.147922 0.572782 ] [ 0.211139 0.852078 0.072782 ] [ 0.147922 0.359061 0.406115 ] [ 0.359061 0.211139 0.239448 ] [ 0.895757 0.791515 0.25 ] [ 0.104243 0.895757 0.416667 ] [ 0.791515 0.895757 0.083333 ] [ 0.208485 0.104243 0.583333 ] [ 0.895757 0.104243 0.916667 ] [ 0.104243 0.208485 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 7.37954608774 "source-unit" "angstrom" } "c" { "source-value" 18.4908148 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.2219497556666665 "source-unit" "eV" } }