{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_1" } "basis-atom-coordinates" { "source-value" [ [ 0.301352 0.998776 0.661685 ] [ 0.5052 0.315956 0.97334 ] [ 0.684044 0.189244 0.306673 ] [ 0.001224 0.302575 0.995018 ] [ 0.810756 0.4948 0.640007 ] [ 0.311984 0.499915 0.678402 ] [ 0.18793 0.688016 0.345068 ] [ 0.500085 0.81207 0.011735 ] [ 0.697425 0.698648 0.328352 ] [ 0.217864 0.234338 0.327566 ] [ 0.016474 0.782136 0.994232 ] [ 0.765662 0.983526 0.660899 ] [ 0.125597 0.000944 0.399612 ] [ 0.418616 0.282952 0.228492 ] [ 0.480365 0.32626 0.707036 ] [ 0.67374 0.154105 0.040369 ] [ 0.717048 0.135664 0.561826 ] [ 0.999056 0.124653 0.732946 ] [ 0.033154 0.249739 0.240675 ] [ 0.845895 0.519635 0.373702 ] [ 0.864336 0.581384 0.895159 ] [ 0.307148 0.428518 0.436473 ] [ 0.875347 0.874403 0.066279 ] [ 0.328464 0.481731 0.947334 ] [ 0.153267 0.671536 0.614 ] [ 0.12137 0.692852 0.10314 ] [ 0.216585 0.966846 0.907342 ] [ 0.518269 0.846733 0.280667 ] [ 0.571482 0.87863 0.769806 ] [ 0.750261 0.783415 0.574009 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.28552425 "source-unit" "angstrom" } "c" { "source-value" 10.63776934 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.8706145136666668 "source-unit" "eV" } }