{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0 0.701921 0.666667 ] [ 0.701921 0 0.333333 ] [ 0.298079 0.298079 0 ] [ 0.694508 0 0.833333 ] [ 0 0.694508 0.166667 ] [ 0.305492 0.305492 0.5 ] [ 0.882112 0.515851 0.047959 ] [ 0.484149 0.366261 0.381293 ] [ 0.633739 0.117888 0.714626 ] [ 0.366261 0.484149 0.618707 ] [ 0.515851 0.882112 0.952041 ] [ 0.117888 0.633739 0.285374 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "N" "N" "N" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.70338460883 "source-unit" "angstrom" } "c" { "source-value" 7.57327373 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.5697028975 "source-unit" "eV" } }