{ "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" [ [ 0.746037 0.746037 0.25 ] [ 0 0.253963 0.25 ] [ 0.746037 0 0.75 ] [ 0.333333 0.666667 0.5 ] [ 0.253963 0 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0 0.746037 0.75 ] [ 0.333333 0.666667 0 ] [ 0.253963 0.253963 0.75 ] [ 0.666667 0.333333 0 ] [ 0.61049 0.61049 0.75 ] [ 0.38951 0 0.75 ] [ 0.61049 0 0.25 ] [ 0 0.38951 0.75 ] [ 0.38951 0.38951 0.25 ] [ 0 0.61049 0.25 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 8.00770045539 "source-unit" "angstrom" } "c" { "source-value" 5.59440824 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.1953384175 "source-unit" "eV" } }