{ "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" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.98991 ] [ 0 0 0.48991 ] [ 0.333333 0.666667 0.802668 ] [ 0.666667 0.333333 0.302668 ] [ 0.333333 0.666667 0.192339 ] [ 0.666667 0.333333 0.692339 ] [ 0.600695 0.660371 0.247274 ] [ 0.660371 0.059676 0.747274 ] [ 0.333333 0.666667 0.02326 ] [ 0.059676 0.399305 0.247274 ] [ 0.666667 0.333333 0.52326 ] [ 0.339629 0.940324 0.247274 ] [ 0.399305 0.339629 0.747274 ] [ 0.940324 0.600695 0.747274 ] ] } "species" { "source-value" [ "K" "K" "Li" "Li" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.2137185329 "source-unit" "angstrom" } "c" { "source-value" 8.81856424 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.760370859285715 "source-unit" "eV" } }