{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.668085 0.664481 0.88113 ] [ 0.331915 0.996396 0.38113 ] [ 0.664481 0.996396 0.11887 ] [ 0.664481 0.668085 0.38113 ] [ 0.335519 0.331915 0.61887 ] [ 0.996396 0.331915 0.88113 ] [ 0.335519 0.003604 0.88113 ] [ 0.668085 0.003604 0.61887 ] [ 0.003604 0.335519 0.38113 ] [ 0.331915 0.335519 0.11887 ] [ 0.003604 0.668085 0.11887 ] [ 0.996396 0.664481 0.61887 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "O" "O" ] } "a" { "source-value" 5.11679348959 "source-unit" "angstrom" } "c" { "source-value" 9.48688631 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.292450995 "source-unit" "eV" } }