{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.404285 0.404285 0.5 ] [ 0.595715 0 0.5 ] [ 0 0.595715 0.5 ] [ 0.765416 0.765416 0 ] [ 0.234584 0 0 ] [ 0 0.234584 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0.185094 0.505657 0 ] [ 0.505657 0.185094 0 ] [ 0.814906 0.320563 0 ] [ 0.679437 0.494343 0 ] [ 0.494343 0.679437 0 ] [ 0.320563 0.814906 0 ] [ 0 0.26355 0.5 ] [ 0.26355 0 0.5 ] [ 0.73645 0.73645 0.5 ] [ 0 0.815406 0 ] [ 0.815406 0 0 ] [ 0.184594 0.184594 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ti" "Ti" "Ti" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.88921483951 "source-unit" "angstrom" } "c" { "source-value" 3.85725145 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.0389597565 "source-unit" "eV" } }