{ "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" [ [ 0.462965 0.262085 0.5 ] [ 0.541507 0.541507 0 ] [ 0.79912 0.537035 0.5 ] [ 0.20088 0.737915 0.5 ] [ 0.537035 0.79912 0.5 ] [ 0.262085 0.462965 0.5 ] [ 0.458493 0 0 ] [ 0.737915 0.20088 0.5 ] [ 0 0.458493 0 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.705741 0 0 ] [ 0.274826 0 0.5 ] [ 0.725174 0.725174 0.5 ] [ 0 0.274826 0.5 ] [ 0 0.705741 0 ] [ 0.294259 0.294259 0 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Fe" "Fe" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 10.355739082 "source-unit" "angstrom" } "c" { "source-value" 3.31832151 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 9.45642141 "source-unit" "eV" } }