{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.917641 0.276792 0.216994 ] [ 0.723208 0.640849 0.216994 ] [ 0.276792 0.359151 0.716994 ] [ 0.082359 0.723208 0.716994 ] [ 0.359151 0.082359 0.216994 ] [ 0.640849 0.917641 0.716994 ] [ 0 0 0.883037 ] [ 0 0 0.383037 ] [ 0.666667 0.333333 0.754164 ] [ 0.333333 0.666667 0.254164 ] [ 0.383539 0.860912 0.473134 ] [ 0.477373 0.616461 0.473134 ] [ 0.125079 0.173784 0.376139 ] [ 0.528558 0.728815 0.049199 ] [ 0.173784 0.048705 0.876139 ] [ 0.874921 0.826216 0.876139 ] [ 0.271185 0.799743 0.049199 ] [ 0.200257 0.471442 0.049199 ] [ 0.860912 0.477373 0.973134 ] [ 0.951295 0.125079 0.876139 ] [ 0.728815 0.200257 0.549199 ] [ 0.048705 0.874921 0.376139 ] [ 0.616461 0.139088 0.973134 ] [ 0.826216 0.951295 0.376139 ] [ 0.799743 0.528558 0.549199 ] [ 0.471442 0.271185 0.549199 ] [ 0.522627 0.383539 0.973134 ] [ 0.139088 0.522627 0.473134 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "B" "B" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.92575960602 "source-unit" "angstrom" } "c" { "source-value" 5.68089143 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.270011301785713 "source-unit" "eV" } }