{ "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 0.762467 0.75 ] [ 0.237533 0 0.25 ] [ 0.762467 0 0.75 ] [ 0.333333 0.666667 0.5 ] [ 0 0.237533 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.762467 0.762467 0.25 ] [ 0.237533 0.237533 0.75 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.399312 0.399312 0.25 ] [ 0 0.399312 0.75 ] [ 0 0.600688 0.25 ] [ 0.600688 0 0.25 ] [ 0.399312 0 0.75 ] [ 0.600688 0.600688 0.75 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Ni" "Ni" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 9.10223549456 "source-unit" "angstrom" } "c" { "source-value" 6.64685959 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.928620497777778 "source-unit" "eV" } }