{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.67778 ] [ 0.333333 0.666667 0.32222 ] [ 0 0 0 ] [ 0.666667 0.333333 0.186662 ] [ 0.333333 0.666667 0.813338 ] [ 0.652826 0.826413 0.664776 ] [ 0.826413 0.173587 0.335224 ] [ 0.173587 0.347174 0.664776 ] [ 0.5 0 0 ] [ 0.826413 0.652826 0.335224 ] [ 0.347174 0.173587 0.335224 ] [ 0.173587 0.826413 0.664776 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Sb" "Sb" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 8.141346817 "source-unit" "angstrom" } "c" { "source-value" 9.91258721 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.035752575 "source-unit" "eV" } }