{ "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" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.246602 0 0.25 ] [ 0.246602 0.246602 0.75 ] [ 0 0.753398 0.75 ] [ 0 0.246602 0.25 ] [ 0.753398 0.753398 0.25 ] [ 0.753398 0 0.75 ] [ 0.608185 0 0.25 ] [ 0.608185 0.608185 0.75 ] [ 0 0.391815 0.75 ] [ 0 0.608185 0.25 ] [ 0.391815 0.391815 0.25 ] [ 0.391815 0 0.75 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" 8.55131879328 "source-unit" "angstrom" } "c" { "source-value" 5.81238817 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.412701595625 "source-unit" "eV" } }