{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 11.6747 10.892449 10.407642 10.055403 9.778586 9.55052 9.356578 9.187865 9.038566 8.904671 8.783296 8.6723 8.570045 8.475255 8.386914 8.3042 8.226439 8.153071 8.083626 8.017706 7.95497 7.895125 7.837916 7.78312 7.745817 7.706557 7.665123 7.621261 7.574667 7.524981 7.47176 7.414464 7.352416 7.284757 7.210369 7.127765 7.034902 6.928866 6.805291 6.657204 6.47241 6.2265 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1674700000000001e-09 1.0892449e-09 1.0407642e-09 1.0055403000000001e-09 9.778586000000001e-10 9.550520000000001e-10 9.356578000000002e-10 9.187865000000001e-10 9.038566e-10 8.904671e-10 8.783296e-10 8.6723e-10 8.570045e-10 8.475255000000001e-10 8.386914000000002e-10 8.3042e-10 8.226439e-10 8.153071000000001e-10 8.083626000000001e-10 8.017706000000001e-10 7.954970000000001e-10 7.895125000000001e-10 7.837916e-10 7.783120000000001e-10 7.745817000000001e-10 7.706557000000001e-10 7.665123000000001e-10 7.621261e-10 7.574667000000001e-10 7.524981000000001e-10 7.47176e-10 7.414464e-10 7.352416e-10 7.284757e-10 7.210369000000001e-10 7.127765e-10 7.034902e-10 6.928866e-10 6.805291e-10 6.657204000000001e-10 6.47241e-10 6.2265e-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" [ 1.52698 2.28886 2.95845 3.57216 4.1458 4.68316 5.19009 5.6666 6.11421 6.5338 6.92631 7.29251 7.6314 7.94284 8.22776 8.48569 8.71516 8.91569 9.08678 9.22786 9.33834 9.41761 9.46642 9.4829 9.4746 9.44667 9.39351 9.30771 9.1798 8.99606 8.73758 8.37792 7.87888 7.18367 6.20512 4.80496 2.74995 -0.371793 -5.35426 -13.8923 -30.1647 -67.2226 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.446491656429184e-19 3.6671579802842886e-19 4.73995942380576e-19 5.723231237756928e-19 6.642303834512641e-19 7.503249463465729e-19 8.315440857847872e-19 9.07889403942528e-19 9.796044316661568e-19 1.0468301604983041e-18 1.109717195041325e-18 1.168388902895021e-18 1.2226850663973121e-18 1.2725832550755073e-18 1.318232471355341e-18 1.3595574129356352e-18 1.3963225598531327e-18 1.4284510076300352e-18 1.4558626474353024e-18 1.4784661552015489e-18 1.4961670025081473e-18 1.5088674565812289e-18 1.5166876806673536e-18 1.5193280677384321e-18 1.5179982611431682e-18 1.5135233818412735e-18 1.5050062109251008e-18 1.491259535518637e-18 1.4707660943619841e-18 1.4413277011314048e-18 1.3999146398369663e-18 1.3422907554932736e-18 1.2623357334088705e-18 1.1509508125542337e-18 9.941698193258496e-19 7.698394575879169e-19 4.405905598368961e-19 -5.956780523770944e-20 -8.578470193684608e-19 -2.2257918269139844e-18 -4.832917711344576e-18 -1.0770247810939008e-17 ] } }