{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.955855 ] [ 0.836828 0.163172 0.895848 ] [ 0.326345 0.163172 0.895848 ] [ 0.666667 0.333333 0.790847 ] [ 0.836828 0.673655 0.895848 ] [ 0.168417 0.831583 0.72911 ] [ 0.663166 0.831583 0.72911 ] [ 0.168417 0.336834 0.72911 ] [ 0.500226 0.499774 0.562503 ] [ 0.333333 0.666667 0.645429 ] [ 0.999548 0.499774 0.562503 ] [ 0.500226 0.000452 0.562503 ] [ 0.833369 0.166631 0.395659 ] [ 0.666667 0.333333 0.479064 ] [ 0.333261 0.166631 0.395659 ] [ 0.833369 0.666739 0.395659 ] [ 0.166619 0.833381 0.228764 ] [ 0 0 0.312214 ] [ 0.666761 0.833381 0.228764 ] [ 0.166619 0.333239 0.228764 ] [ 0.502063 0.497937 0.062854 ] [ 0.995874 0.497937 0.062854 ] [ 0.333333 0.666667 0.145649 ] [ 0.502063 0.004126 0.062854 ] [ 0 0 0.00175 ] [ 0.666667 0.333333 0.98066 ] [ 0.333333 0.666667 0.8345 ] [ 0 0 0.812914 ] [ 0 0 0.499823 ] [ 0.666667 0.333333 0.666794 ] [ 0 0 0.626022 ] [ 0.333333 0.666667 0.458398 ] [ 0.333333 0.666667 0.332931 ] [ 0.666667 0.333333 0.291415 ] [ 0 0 0.123264 ] [ 0.666667 0.333333 0.167243 ] [ 0.505601 0.011203 0.932855 ] [ 0.666667 0.333333 0.856814 ] [ 0.988797 0.494399 0.932855 ] [ 0.505601 0.494399 0.932855 ] [ 0.153132 0.846868 0.859936 ] [ 0.834251 0.668502 0.766155 ] [ 0 0 0.697282 ] [ 0.693737 0.846868 0.859936 ] [ 0 0 0.931793 ] [ 0.331498 0.165749 0.766155 ] [ 0.834251 0.165749 0.766155 ] [ 0.153132 0.306263 0.859936 ] [ 0.185347 0.370694 0.60195 ] [ 0.479717 0.520283 0.689271 ] [ 0.333333 0.666667 0.528424 ] [ 0.040565 0.520283 0.689271 ] [ 0.333333 0.666667 0.763872 ] [ 0.629306 0.814653 0.60195 ] [ 0.185347 0.814653 0.60195 ] [ 0.479717 0.959435 0.689271 ] [ 0.814054 0.185946 0.523412 ] [ 0.519298 0.038597 0.435189 ] [ 0.371893 0.185946 0.523412 ] [ 0.666667 0.333333 0.597122 ] [ 0.666667 0.333333 0.361404 ] [ 0.961403 0.480702 0.435189 ] [ 0.814054 0.628107 0.523412 ] [ 0.519298 0.480702 0.435189 ] [ 0.147407 0.852593 0.356572 ] [ 0.852764 0.705528 0.268237 ] [ 0 0 0.430254 ] [ 0 0 0.193966 ] [ 0.705186 0.852593 0.356572 ] [ 0.294472 0.147236 0.268237 ] [ 0.147407 0.294814 0.356572 ] [ 0.852764 0.147236 0.268237 ] [ 0.18847 0.376941 0.101243 ] [ 0.480442 0.519558 0.189936 ] [ 0.333333 0.666667 0.263516 ] [ 0.333333 0.666667 0.020921 ] [ 0.039115 0.519558 0.189936 ] [ 0.623059 0.81153 0.101243 ] [ 0.480442 0.960885 0.189936 ] [ 0.18847 0.81153 0.101243 ] [ 0.820435 0.179565 0.027644 ] [ 0.35913 0.179565 0.027644 ] [ 0.666667 0.333333 0.098445 ] [ 0.820435 0.64087 0.027644 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.78186137 "source-unit" "angstrom" } "c" { "source-value" 28.37465997 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.094068509880952 "source-unit" "eV" } }