{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.613584 0.950163 0.75 ] [ 0.336579 0.386416 0.75 ] [ 0.386416 0.049837 0.25 ] [ 0.950163 0.336579 0.25 ] [ 0.049837 0.663421 0.75 ] [ 0.663421 0.613584 0.25 ] [ 0.666667 0.333333 0.513394 ] [ 0.666667 0.333333 0.986606 ] [ 0.333333 0.666667 0.013394 ] [ 0.333333 0.666667 0.486606 ] [ 0.202219 0.239112 0.25 ] [ 0.963107 0.202219 0.75 ] [ 0.036893 0.797781 0.25 ] [ 0.797781 0.760888 0.75 ] [ 0.239112 0.036893 0.75 ] [ 0.760888 0.963107 0.25 ] [ 0.463451 0.634288 0.500859 ] [ 0.536549 0.365712 0.000859 ] [ 0.170837 0.536549 0.500859 ] [ 0.634288 0.170837 0.000859 ] [ 0.829163 0.463451 0.000859 ] [ 0.365712 0.829163 0.999141 ] [ 0.365712 0.829163 0.500859 ] [ 0.634288 0.170837 0.499141 ] [ 0.170837 0.536549 0.999141 ] [ 0.829163 0.463451 0.499141 ] [ 0.463451 0.634288 0.999141 ] [ 0.536549 0.365712 0.499141 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "B" "B" "B" "B" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.22250466 "source-unit" "angstrom" } "c" { "source-value" 5.85296493 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.482856464999999 "source-unit" "eV" } }