{ "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" [ [ 0.412126 0.412126 0.5 ] [ 0.587874 0 0.5 ] [ 0 0.587874 0.5 ] [ 0 0 0.5 ] [ 0 0.247184 0 ] [ 0.247184 0 0 ] [ 0.752816 0.752816 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Cu" "Cu" "Cu" "Cu" "Si" "Si" ] } "a" { "source-value" 6.38244621 "source-unit" "angstrom" } "c" { "source-value" 3.99339376 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.405603613333334 "source-unit" "eV" } }