{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0.379859 0.379859 0.704424 ] [ 0.620141 0 0.704424 ] [ 0 0.620141 0.704424 ] [ 0.379859 0 0.295576 ] [ 0 0.379859 0.295576 ] [ 0.620141 0.620141 0.295576 ] ] } "species" { "source-value" [ "Hg" "As" "As" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.95602256057 "source-unit" "angstrom" } "c" { "source-value" 5.11422809 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.375948291111111 "source-unit" "eV" } }