{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.14611 8.533287 8.153485 7.877538 7.660677 7.482008 7.330072 7.1979 7.080938 6.976044 6.880958 6.794002 6.713894 6.639635 6.570428 6.505629 6.44471 6.387233 6.332829 6.281187 6.232039 6.185156 6.140337 6.09741 6.054012 6.00929 5.963162 5.915534 5.866307 5.81537 5.762599 5.707857 5.650992 5.591833 5.530185 5.465831 5.398522 5.327973 5.253857 5.175795 5.09334 5.005971 4.913064 4.813868 4.707471 4.592744 4.468271 4.332242 4.182289 4.015233 3.826664 3.610212 3.356175 3.0487 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.14611e-10 8.533287e-10 8.153485e-10 7.877538000000001e-10 7.660677e-10 7.482008000000001e-10 7.330072000000001e-10 7.1979e-10 7.080938e-10 6.976044e-10 6.880958e-10 6.794002e-10 6.713894e-10 6.639635e-10 6.570428e-10 6.505629e-10 6.44471e-10 6.387233000000001e-10 6.332829e-10 6.281187e-10 6.232039000000001e-10 6.185156e-10 6.140337e-10 6.09741e-10 6.054012000000001e-10 6.00929e-10 5.963162e-10 5.915534e-10 5.866307e-10 5.81537e-10 5.762599e-10 5.707857e-10 5.650992e-10 5.591833e-10 5.530185000000001e-10 5.465830999999999e-10 5.398522e-10 5.327973e-10 5.253857000000001e-10 5.175795e-10 5.093340000000001e-10 5.005971e-10 4.913064e-10 4.813868e-10 4.707471000000001e-10 4.592744e-10 4.468271e-10 4.332242e-10 4.182289e-10 4.0152330000000004e-10 3.826664e-10 3.6102120000000003e-10 3.356175e-10 3.0487000000000005e-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" [ 0.896595 1.32616 1.79588 2.16445 2.39588 2.5531 2.66429 2.7486 2.81737 2.87685 2.93086 2.98217 3.03213 3.08048 3.1264 3.16909 3.20784 3.24204 3.27124 3.29515 3.31356 3.32644 3.334 3.33648 3.33377 3.32469 3.3075 3.28008 3.24003 3.18459 3.11071 3.01503 2.89413 2.74482 2.56285 2.34307 2.07913 1.76187 1.37457 0.887208 0.25025 -0.585334 -1.50532 -2.4826 -3.71341 -5.25658 -7.14337 -9.40301 -12.0528 -15.2803 -19.3916 -25.7894 -37.2507 -61.3417 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.43650355916123e-19 2.12474256494544e-19 2.8773169734679197e-19 3.4678312154613e-19 3.8386229538679197e-19 4.0905171642654e-19 4.2686631841998596e-19 4.4037426962124e-19 4.513924383332579e-19 4.6092218495229e-19 4.69575540952524e-19 4.777963092615779e-19 4.858007837250419e-19 4.93547307750432e-19 5.0090450285376e-19 5.07744194904306e-19 5.13952629361056e-19 5.19432073449336e-19 5.24110429220616e-19 5.279412335525099e-19 5.308908407357039e-19 5.329544442402959e-19 5.341656897756e-19 5.34563029580832e-19 5.341288397130179e-19 5.32674063329346e-19 5.299199216955e-19 5.255267533650719e-19 5.191100359459019e-19 5.10227568687006e-19 4.98390687715014e-19 4.83061061680902e-19 4.63690746175842e-19 4.397686468535879e-19 4.1061383864469e-19 3.7540120058263795e-19 3.33113350504842e-19 2.82282694614558e-19 2.20230393579738e-19 1.421463927097872e-19 4.009447026584999e-20 -9.37808457885756e-20 -2.41178853069288e-19 -3.9775637115684e-19 -5.94953873446194e-19 -8.421969650751719e-19 -1.144494050201658e-18 -1.506528291126834e-18 -1.9310714534275197e-18 -2.4481739620510197e-18 -3.10687684158744e-18 -4.13191740848796e-18 -5.96822011401438e-18 -9.82802384298378e-18 ] } }