{ "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" [ "Md" "Md" "Md" "Md" "Md" "Md" "Md" "Md" ] } "a" { "source-value" [ 11.5412 10.767902 10.288643 9.940436 9.666787 9.441332 9.249609 9.082827 8.935237 8.802875 8.682889 8.573163 8.472078 8.378373 8.291044 8.209276 8.132405 8.059877 7.991227 7.926061 7.864043 7.804883 7.748329 7.69416 7.639398 7.582964 7.524756 7.464656 7.402538 7.338262 7.271671 7.202595 7.130838 7.056186 6.978395 6.897188 6.812253 6.723229 6.629705 6.5312 6.427153 6.316905 6.199667 6.074495 5.940235 5.795465 5.638396 5.466745 5.277523 5.06672 4.828771 4.555637 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.15412e-09 1.0767902e-09 1.0288643e-09 9.940436000000001e-10 9.666787e-10 9.441332e-10 9.249609e-10 9.082827e-10 8.935237000000001e-10 8.802875000000001e-10 8.682889e-10 8.573163e-10 8.472078e-10 8.378373e-10 8.291044e-10 8.209275999999999e-10 8.132405e-10 8.059877e-10 7.991227000000001e-10 7.926061e-10 7.864043e-10 7.804883e-10 7.748329e-10 7.694160000000001e-10 7.639398e-10 7.582963999999999e-10 7.524756e-10 7.464656e-10 7.402538e-10 7.338262000000001e-10 7.271671000000001e-10 7.202595e-10 7.130838000000001e-10 7.056186000000001e-10 6.978395e-10 6.897188e-10 6.812253000000001e-10 6.723229e-10 6.629705000000001e-10 6.5312e-10 6.427153e-10 6.316905000000001e-10 6.199667e-10 6.074495e-10 5.940235000000001e-10 5.795465000000001e-10 5.638396000000001e-10 5.466745e-10 5.277523000000001e-10 5.06672e-10 4.828771e-10 4.555637e-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" [ 0.234662 0.351743 0.454642 0.548952 0.637105 0.719683 0.797584 0.87081 0.939594 1.00407 1.06439 1.12066 1.17274 1.2206 1.26438 1.30402 1.33928 1.3701 1.39639 1.41807 1.43505 1.44723 1.45473 1.45726 1.4544 1.44484 1.42681 1.39821 1.35606 1.29669 1.21537 1.10591 0.960174 0.767479 0.513273 0.177913 -0.2653 -0.854443 -1.64302 -2.70769 -4.16241 -6.17833 -9.02179 -13.1162 -19.1608 -28.3574 -42.872 -66.8426 -108.74 -187.481 -350.268 -733.457 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.75969973287708e-20 5.635544157730619e-20 7.28416789235028e-20 8.79518067587568e-20 1.0207547444045699e-19 1.153059286487022e-19 1.277870448452256e-19 1.3951914346535398e-19 1.505395552246596e-19 1.60869749290038e-19 1.7053407874632597e-19 1.7954952666584399e-19 1.8789366257571598e-19 1.9556167994603997e-19 2.0257600924969198e-19 2.0892703742686799e-19 2.14576312238352e-19 2.1951422062434e-19 2.23726342995126e-19 2.27199861937638e-19 2.2992035786216997e-19 2.31871809002382e-19 2.33073441477882e-19 2.33478792166284e-19 2.3302056964895995e-19 2.3148888878685595e-19 2.2860016431575397e-19 2.2401793914251397e-19 2.17264764630204e-19 2.0775264195414598e-19 1.94723741566458e-19 1.77186316130694e-19 1.538368347374316e-19 1.2296369208856858e-19 8.223540074630819e-20 2.8504805148484197e-20 -4.2505746100019993e-20 -1.3689686096848618e-19 -2.6324082531946795e-19 -4.338197650115459e-19 -6.66891604312794e-19 -9.898775963141218e-19 -1.4454501134854858e-18 -2.1014469166870798e-18 -3.0698986048747195e-18 -4.543356368099159e-18 -6.8688516652847995e-18 -1.070936518758084e-17 -1.7422068718115997e-17 -3.0037767751895396e-17 -5.611912052379119e-17 -1.1751276674437379e-16 ] } }