{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0.371171 0 0.91206 ] [ 0.333333 0.666667 0.696404 ] [ 0 0 0.8053 ] [ 0 0.371171 0.91206 ] [ 0.666667 0.333333 0.196404 ] [ 0.713929 0 0.071344 ] [ 0.628829 0.628829 0.91206 ] [ 0.333333 0.666667 0.196404 ] [ 0.371171 0.371171 0.41206 ] [ 0.286071 0 0.571344 ] [ 0.628829 0 0.41206 ] [ 0.286071 0.286071 0.071344 ] [ 0 0.713929 0.071344 ] [ 0 0.286071 0.571344 ] [ 0.713929 0.713929 0.571344 ] [ 0 0.628829 0.41206 ] [ 0 0 0.3053 ] [ 0.666667 0.333333 0.696404 ] [ 0.32837 0.32837 0.741527 ] [ 0.67163 0.67163 0.241527 ] [ 0.32837 0 0.241527 ] [ 0.67163 0 0.741527 ] [ 0 0.67163 0.741527 ] [ 0 0.32837 0.241527 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "a" { "source-value" 7.92563551045 "source-unit" "angstrom" } "c" { "source-value" 8.25584672 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.7528292779166663 "source-unit" "eV" } }