{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.327604 0 0.139345 ] [ 0 0.327604 0.139345 ] [ 0.672396 0.672396 0.139345 ] [ 0 0.672396 0.860655 ] [ 0.672396 0 0.860655 ] [ 0.327604 0.327604 0.860655 ] ] } "species" { "source-value" [ "U" "Ta" "Ta" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.26029364693 "source-unit" "angstrom" } "c" { "source-value" 3.9393811 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 9.261033082727273 "source-unit" "eV" } }