{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.159424 0.840576 0.75 ] [ 0.681152 0.840576 0.75 ] [ 0.840576 0.681152 0.25 ] [ 0.840576 0.159424 0.25 ] [ 0.159424 0.318848 0.75 ] [ 0.318848 0.159424 0.25 ] ] } "species" { "source-value" [ "Tl" "Tl" "Co" "Co" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.98787952798 "source-unit" "angstrom" } "c" { "source-value" 5.87114172 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.743902242 "source-unit" "eV" } }