{ "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" [ [ 0.600976 0 0 ] [ 0.399024 0.399024 0 ] [ 0 0.600976 0 ] [ 0 0.249597 0.5 ] [ 0.750403 0.750403 0.5 ] [ 0.249597 0 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Al" "Al" "Fe" ] } "a" { "source-value" 7.97249675001 "source-unit" "angstrom" } "c" { "source-value" 3.31535565 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.778238692222222 "source-unit" "eV" } }