{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.289643 0.289643 0.75 ] [ 0 0.710357 0.75 ] [ 0 0.289643 0.25 ] [ 0.710357 0 0.75 ] [ 0.333333 0.666667 0.5 ] [ 0.710357 0.710357 0.25 ] [ 0.289643 0 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0 0.629511 0.25 ] [ 0.370489 0.370489 0.25 ] [ 0.629511 0 0.25 ] [ 0 0 0 ] [ 0.370489 0 0.75 ] [ 0.629511 0.629511 0.75 ] [ 0 0 0.5 ] [ 0 0.370489 0.75 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 8.46972991339 "source-unit" "angstrom" } "c" { "source-value" 5.80003975 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.831270097222222 "source-unit" "eV" } }