{ "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" [ [ 0.238444 0 0.5 ] [ 0.761556 0.761556 0.5 ] [ 0 0.238444 0.5 ] [ 0.60041 0 0 ] [ 0.39959 0.39959 0 ] [ 0 0.60041 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Si" "Si" "B" ] } "a" { "source-value" 6.78583164671 "source-unit" "angstrom" } "c" { "source-value" 3.3172913 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.867207021111112 "source-unit" "eV" } }