{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0.241321 0 0.5 ] [ 0.758679 0.758679 0.5 ] [ 0 0.241321 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.53946 ] [ 0.666667 0.333333 0.46054 ] [ 0.602547 0 0 ] [ 0.397453 0.397453 0 ] [ 0 0.602547 0 ] [ 0.540287 0.734019 0.670083 ] [ 0.459713 0.193732 0.329917 ] [ 0.122721 0.211794 0.211036 ] [ 0.265981 0.806268 0.670083 ] [ 0.089073 0.877279 0.211036 ] [ 0.910927 0.788206 0.788964 ] [ 0.666667 0.333333 0.781023 ] [ 0.877279 0.089073 0.788964 ] [ 0.193732 0.459713 0.670083 ] [ 0.788206 0.910927 0.211036 ] [ 0.333333 0.666667 0.218977 ] [ 0.211794 0.122721 0.788964 ] [ 0.806268 0.265981 0.329917 ] [ 0.734019 0.540287 0.329917 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Te" "As" "As" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.68897353732 "source-unit" "angstrom" } "c" { "source-value" 5.32815878 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.537263116956522 "source-unit" "eV" } }