{ "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 ] [ 0.238862 0 0.25 ] [ 0.238862 0.238862 0.75 ] [ 0 0.761138 0.75 ] [ 0 0.238862 0.25 ] [ 0.761138 0.761138 0.25 ] [ 0.761138 0 0.75 ] [ 0.606948 0 0.25 ] [ 0.606948 0.606948 0.75 ] [ 0 0.393052 0.75 ] [ 0 0.606948 0.25 ] [ 0.393052 0.393052 0.25 ] [ 0.393052 0 0.75 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 8.34531173096 "source-unit" "angstrom" } "c" { "source-value" 5.54183551 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.101891719375 "source-unit" "eV" } }