{ "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 0 0.5 ] [ 0 0 0 ] [ 0.182449 0.487224 0.834653 ] [ 0.695225 0.182449 0.334653 ] [ 0.304775 0.817551 0.665347 ] [ 0.512776 0.695225 0.834653 ] [ 0.817551 0.512776 0.334653 ] [ 0.487224 0.304775 0.165347 ] [ 0.512776 0.695225 0.665347 ] [ 0.817551 0.512776 0.165347 ] [ 0.487224 0.304775 0.334653 ] [ 0.182449 0.487224 0.665347 ] [ 0.304775 0.817551 0.834653 ] [ 0.695225 0.182449 0.165347 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.763157 0.734219 0.602735 ] [ 0.519831 0.950963 0.25 ] [ 0.950963 0.431132 0.75 ] [ 0.028938 0.763157 0.397265 ] [ 0.971062 0.236843 0.897265 ] [ 0.763157 0.734219 0.897265 ] [ 0.431132 0.480169 0.25 ] [ 0.36774 0.482168 0.925808 ] [ 0.482168 0.114428 0.425808 ] [ 0.885572 0.36774 0.425808 ] [ 0.568868 0.519831 0.75 ] [ 0.194964 0.286008 0.75 ] [ 0.265781 0.028938 0.897265 ] [ 0.028938 0.763157 0.102735 ] [ 0.236843 0.265781 0.102735 ] [ 0.63226 0.517832 0.425808 ] [ 0.114428 0.63226 0.925808 ] [ 0.734219 0.971062 0.102735 ] [ 0.734219 0.971062 0.397265 ] [ 0.805036 0.713992 0.25 ] [ 0.971062 0.236843 0.602735 ] [ 0.517832 0.885572 0.574192 ] [ 0.236843 0.265781 0.397265 ] [ 0.480169 0.049037 0.75 ] [ 0.265781 0.028938 0.602735 ] [ 0.114428 0.63226 0.574192 ] [ 0.482168 0.114428 0.074192 ] [ 0.908956 0.194964 0.25 ] [ 0.63226 0.517832 0.074192 ] [ 0.36774 0.482168 0.574192 ] [ 0.091044 0.805036 0.75 ] [ 0.049037 0.568868 0.25 ] [ 0.286008 0.091044 0.25 ] [ 0.885572 0.36774 0.074192 ] [ 0.517832 0.885572 0.925808 ] [ 0.713992 0.908956 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 9.20240147172 "source-unit" "angstrom" } "c" { "source-value" 18.31123272 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.5268246826923075 "source-unit" "eV" } }