{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.114082 ] [ 0.666667 0.333333 0.885918 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.629562 ] [ 0.666667 0.333333 0.370438 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Si" "Br" "Br" ] } "a" { "source-value" 4.56549893879 "source-unit" "angstrom" } "c" { "source-value" 11.10369143 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.523221718333333 "source-unit" "eV" } }