{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" [ 8.0055 7.469102 7.136664 6.89513 6.705313 6.548926 6.415938 6.300249 6.197873 6.10606 6.022832 5.94672 5.876603 5.811605 5.751028 5.694311 5.640989 5.59068 5.54306 5.497858 5.45484 5.413803 5.374574 5.337 5.299014 5.25987 5.219494 5.177806 5.134718 5.090134 5.043944 4.996029 4.946256 4.894474 4.840515 4.784186 4.725271 4.663521 4.598648 4.530321 4.45815 4.381676 4.300356 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.0055e-10 7.469102e-10 7.136664e-10 6.895130000000001e-10 6.705313000000001e-10 6.548926e-10 6.415938e-10 6.300249e-10 6.197873000000001e-10 6.106060000000001e-10 6.022832e-10 5.94672e-10 5.876603e-10 5.811605e-10 5.751028e-10 5.694311e-10 5.640989e-10 5.59068e-10 5.54306e-10 5.497858e-10 5.45484e-10 5.413803e-10 5.374574e-10 5.337e-10 5.299014e-10 5.25987e-10 5.219494000000001e-10 5.177806e-10 5.134718e-10 5.090134e-10 5.043944e-10 4.996029e-10 4.946256e-10 4.894474e-10 4.840515e-10 4.784186000000001e-10 4.725271e-10 4.663521e-10 4.598648e-10 4.530321e-10 4.45815e-10 4.381676e-10 4.300356e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.98595 1.47788 1.91023 2.30649 2.67688 3.02384 3.35115 3.65883 3.94784 4.21876 4.4722 4.70865 4.92746 5.12855 5.31251 5.47905 5.62722 5.7567 5.86717 5.95826 6.0296 6.08078 6.1123 6.12294 6.11094 6.07077 5.99503 5.87484 5.69774 5.44832 5.10663 4.6467 4.0344 3.22476 2.15669 0.747624 -1.11461 -3.58994 -6.90327 -11.3766 -17.4888 -25.9591 -37.9061 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5796660522922998e-19 2.36782480385592e-19 3.06052587156582e-19 3.69540438455466e-19 4.28883458802192e-19 4.844725792954559e-19 5.3691342270291e-19 5.86209193377822e-19 6.325137002770559e-19 6.759198696453839e-19 7.1652543425748e-19 7.544089007684099e-19 7.8946612769696395e-19 8.216842976300699e-19 8.511579389891339e-19 8.7784058865177e-19 9.01580039837748e-19 9.2232502289478e-19 9.400242681705779e-19 9.54618495129684e-19 9.6604842323664e-19 9.74248363249452e-19 9.7929842399982e-19 9.81003139938396e-19 9.79080527977596e-19 9.72644584438818e-19 9.60509698612902e-19 9.412531376488559e-19 9.12878589460716e-19 8.729170998554878e-19 8.18172326448342e-19 7.4448341652078e-19 6.463821412209599e-19 5.166635122257839e-19 3.4553983247814603e-19 1.197825703817616e-19 -1.78580209802274e-19 -5.75171798546196e-19 -1.106025789219318e-18 -1.82273226943644e-18 -2.80201467166992e-18 -4.15910634596694e-18 -6.07322677060674e-18 ] } }