{ "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" [ 8.75179 8.165388 7.80196 7.53791 7.330399 7.159433 7.014047 6.887574 6.775655 6.675283 6.584296 6.501089 6.424436 6.353378 6.287155 6.225149 6.166857 6.111858 6.0598 6.010384 5.963355 5.918493 5.875607 5.83453 5.806566 5.777135 5.746074 5.713193 5.678265 5.641018 5.601121 5.558169 5.511656 5.460935 5.405171 5.343248 5.273633 5.194144 5.101507 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.75179e-10 8.165388000000001e-10 7.80196e-10 7.53791e-10 7.330399000000001e-10 7.159433e-10 7.014047e-10 6.887574e-10 6.775655000000001e-10 6.675283e-10 6.584296e-10 6.501089000000001e-10 6.424436e-10 6.353378e-10 6.287155000000001e-10 6.225149000000001e-10 6.166857e-10 6.111858e-10 6.0598e-10 6.010384e-10 5.963355e-10 5.918493e-10 5.875607e-10 5.83453e-10 5.806566e-10 5.777135e-10 5.746074e-10 5.713193e-10 5.678265e-10 5.641018e-10 5.601121e-10 5.558169000000001e-10 5.511656e-10 5.460935e-10 5.405171e-10 5.343248000000001e-10 5.273633e-10 5.194144e-10 5.101507e-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" [ 1.23289 1.06687 0.938648 0.966709 1.19957 1.35668 1.18182 1.11588 1.2605 1.47269 1.66582 1.83188 1.9803 2.11862 2.24958 2.37287 2.48116 2.56816 2.63335 2.67999 2.7114 2.7319 2.74422 2.74861 2.74621 2.73779 2.7211 2.69404 2.65445 2.59915 2.52415 2.42459 2.29474 2.13418 1.9437 1.68909 1.29952 0.67039 -0.391428 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9753075340181122e-19 1.709314171432896e-19 1.5038798807606786e-19 1.5488385589169473e-19 1.9219230090130562e-19 2.1736409779069443e-19 1.8934843739938564e-19 1.7878368476183042e-19 2.0195436305184e-19 2.359509487685952e-19 2.668937858461056e-19 2.934995308111104e-19 3.17279036217024e-19 3.394403432359296e-19 3.604224482619264e-19 3.801756838197696e-19 3.9752565444641283e-19 4.114645910473729e-19 4.21909180438368e-19 4.2938173219777923e-19 4.34414168963712e-19 4.37698631036352e-19 4.396725126331776e-19 4.403758681697088e-19 4.399913457807168e-19 4.386423130660032e-19 4.35968280285888e-19 4.3163279035000325e-19 4.2528977310825605e-19 4.16429736395232e-19 4.0441341173923203e-19 3.8846214130254717e-19 3.676578778814592e-19 3.4193333005789446e-19 3.1141506978489603e-19 2.706220508427072e-19 2.0820605622620162e-19 1.0740831848181121e-19 -6.271367903265025e-20 ] } }