{ "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" [ [ 0.320402 0.894806 0 ] [ 0.105194 0.425596 0 ] [ 0.574404 0.679598 0 ] [ 0.394146 0.278362 0.5 ] [ 0.884216 0.605854 0.5 ] [ 0.721638 0.115784 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.069038 0.86522 0.5 ] [ 0.049523 0.628748 0 ] [ 0.13478 0.203818 0.5 ] [ 0.579225 0.950477 0 ] [ 0.2772 0.10178 0 ] [ 0.371252 0.420775 0 ] [ 0.598969 0.566361 0.5 ] [ 0.796182 0.930962 0.5 ] [ 0.433639 0.032608 0.5 ] [ 0.82458 0.7228 0 ] [ 0.967392 0.401031 0.5 ] [ 0.89822 0.17542 0 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 10.4416433324 "source-unit" "angstrom" } "c" { "source-value" 4.03498741 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.713033252857143 "source-unit" "eV" } }