{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.588538 0.688248 0 ] [ 0.713523 0.106469 0.5 ] [ 0.893531 0.607054 0.5 ] [ 0.392946 0.286477 0.5 ] [ 0.09971 0.411462 0 ] [ 0.311752 0.90029 0 ] [ 0 0 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.425673 0.039496 0.5 ] [ 0.613823 0.574327 0.5 ] [ 0.960504 0.386177 0.5 ] [ 0.128931 0.206395 0.5 ] [ 0.077464 0.871069 0.5 ] [ 0.793605 0.922536 0.5 ] [ 0.567744 0.950843 0 ] [ 0.049157 0.616901 0 ] [ 0.383099 0.432256 0 ] [ 0.274902 0.114307 0 ] [ 0.839405 0.725098 0 ] [ 0.885693 0.160595 0 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Br" "Br" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 10.5059704101 "source-unit" "angstrom" } "c" { "source-value" 4.05551003 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.643937846666667 "source-unit" "eV" } }