{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.07527 5.668204 5.415922 5.232624 5.088575 4.969895 4.868972 4.781177 4.703486 4.63381 4.570649 4.512889 4.459678 4.410351 4.364381 4.321338 4.280873 4.242694 4.206557 4.172253 4.139607 4.108465 4.078694 4.05018 4.030768 4.010338 3.988776 3.965951 3.941705 3.915848 3.888153 3.858337 3.826049 3.79084 3.75213 3.709144 3.66082 3.60564 3.541334 3.464271 3.368108 3.24014 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.075269999999999e-10 5.668204e-10 5.415922000000001e-10 5.232624000000001e-10 5.088575e-10 4.969895e-10 4.868972000000001e-10 4.781177e-10 4.703486e-10 4.6338100000000007e-10 4.5706490000000003e-10 4.5128890000000006e-10 4.4596780000000003e-10 4.4103510000000005e-10 4.364381e-10 4.321338e-10 4.280873e-10 4.2426940000000004e-10 4.2065570000000005e-10 4.1722530000000007e-10 4.139607e-10 4.108465e-10 4.0786939999999997e-10 4.0501800000000005e-10 4.0307680000000003e-10 4.0103380000000003e-10 3.9887760000000003e-10 3.965951e-10 3.941705e-10 3.9158480000000004e-10 3.888153e-10 3.8583370000000004e-10 3.826049e-10 3.7908400000000003e-10 3.75213e-10 3.709144e-10 3.66082e-10 3.6056400000000003e-10 3.541334e-10 3.464271e-10 3.368108e-10 3.24014e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.32546 1.77448 2.06829 2.30397 2.51643 2.70574 2.86544 2.99575 3.10146 3.18771 3.25861 3.31728 3.36611 3.40702 3.4416 3.47108 3.49642 3.51823 3.53683 3.55224 3.56436 3.57307 3.57827 3.58 3.57918 3.5765 3.57165 3.56431 3.55421 3.54055 3.52055 3.49248 3.45443 3.40393 3.33769 3.25106 3.13704 2.98408 2.77094 2.45436 1.93974 0.9964 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1236210238055682e-19 2.8430303700771843e-19 3.3137658830344324e-19 3.6913668690245763e-19 4.0317653138797444e-19 4.335073369963392e-19 4.590940976305152e-19 4.799720611761601e-19 4.969086702346368e-19 5.107274435890369e-19 5.220868758305088e-19 5.314868460647424e-19 5.393102745041089e-19 5.458647790598017e-19 5.514051058145281e-19 5.561283224926464e-19 5.601882380497536e-19 5.636825852597184e-19 5.666626337744064e-19 5.691315879470592e-19 5.710734260114688e-19 5.724689218481856e-19 5.733020536910016e-19 5.735792302464e-19 5.734478517634944e-19 5.7301846842912e-19 5.722414127680321e-19 5.710654151283648e-19 5.694472167413568e-19 5.672586434773441e-19 5.64054290235744e-19 5.595569804611585e-19 5.534606984190144e-19 5.453697064839744e-19 5.347568885477952e-19 5.208772324818048e-19 5.026092146514432e-19 4.781023210596864e-19 4.439535285639552e-19 3.932318211026688e-19 3.107806078430592e-19 1.59640878496512e-19 ] } }