{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.596133 0.5 ] [ 0.403867 0.403867 0.5 ] [ 0.596133 0 0.5 ] [ 0 0.246621 0 ] [ 0.753379 0.753379 0 ] [ 0.246621 0 0 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.503221 0.188557 0 ] [ 0.188557 0.503221 0 ] [ 0.314663 0.811443 0 ] [ 0.496779 0.685337 0 ] [ 0.685337 0.496779 0 ] [ 0.811443 0.314663 0 ] [ 0 0.263057 0.5 ] [ 0.736943 0.736943 0.5 ] [ 0.263057 0 0.5 ] [ 0 0.820994 0 ] [ 0.179006 0.179006 0 ] [ 0.820994 0 0 ] ] } "species" { "source-value" [ "K" "K" "K" "Ta" "Ta" "Ta" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.88869616 "source-unit" "angstrom" } "c" { "source-value" 3.94721139 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.229475686499999 "source-unit" "eV" } }