{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.153914 0.846086 0.25 ] [ 0.153914 0.307827 0.25 ] [ 0.307827 0.153914 0.75 ] [ 0.692173 0.846086 0.25 ] [ 0.846086 0.692173 0.75 ] [ 0.846086 0.153914 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cu" "Cu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.30807002 "source-unit" "angstrom" } "c" { "source-value" 6.0127308 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.192935614 "source-unit" "eV" } }