{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.441295 ] [ 0.666667 0.333333 0.941295 ] [ 0.666667 0.333333 0.558705 ] [ 0.333333 0.666667 0.058705 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.227201 0.857604 0.75 ] [ 0.630404 0.772799 0.75 ] [ 0.142396 0.369596 0.75 ] [ 0.369596 0.227201 0.25 ] [ 0.857604 0.630404 0.25 ] [ 0.772799 0.142396 0.25 ] [ 0.238787 0.200762 0.39265 ] [ 0.038025 0.238787 0.89265 ] [ 0.200762 0.961975 0.89265 ] [ 0.799238 0.038025 0.39265 ] [ 0.961975 0.761213 0.39265 ] [ 0.761213 0.799238 0.89265 ] [ 0.761213 0.799238 0.60735 ] [ 0.961975 0.761213 0.10735 ] [ 0.799238 0.038025 0.10735 ] [ 0.200762 0.961975 0.60735 ] [ 0.038025 0.238787 0.60735 ] [ 0.238787 0.200762 0.10735 ] [ 0.495893 0.070643 0.25 ] [ 0.425249 0.495893 0.75 ] [ 0.070643 0.574751 0.75 ] [ 0.929357 0.425249 0.25 ] [ 0.574751 0.504107 0.25 ] [ 0.504107 0.929357 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ti" "Ti" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.31773845756 "source-unit" "angstrom" } "c" { "source-value" 10.54541665 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.561421383333334 "source-unit" "eV" } }