{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 7.66083 7.147526 6.829401 6.598266 6.416622 6.266968 6.139705 6.028997 5.931029 5.843169 5.763524 5.690689 5.623591 5.561391 5.503423 5.449147 5.398121 5.349978 5.304409 5.261153 5.219986 5.180716 5.143176 5.10722 5.07087 5.033411 4.994773 4.95488 4.913647 4.870982 4.826781 4.780929 4.733299 4.683747 4.63211 4.578207 4.521829 4.462737 4.400657 4.335272 4.266208 4.193027 4.115208 4.032121 3.943002 3.846906 3.742648 3.628709 3.503108 3.363181 3.205236 3.023935 2.811152 2.55361 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.66083e-10 7.147526e-10 6.829401000000001e-10 6.598266e-10 6.416622e-10 6.266968e-10 6.139705000000001e-10 6.028997000000001e-10 5.931028999999999e-10 5.843168999999999e-10 5.763524e-10 5.690689e-10 5.623591e-10 5.561391e-10 5.503423e-10 5.449147e-10 5.398121e-10 5.349978e-10 5.304409e-10 5.261153e-10 5.219986e-10 5.180716e-10 5.143176000000001e-10 5.10722e-10 5.07087e-10 5.033411e-10 4.994773000000001e-10 4.95488e-10 4.913647e-10 4.870981999999999e-10 4.826781e-10 4.780929e-10 4.733299e-10 4.683747000000001e-10 4.63211e-10 4.578207e-10 4.5218290000000003e-10 4.462737e-10 4.400657e-10 4.335272e-10 4.266208e-10 4.193027e-10 4.115208e-10 4.0321210000000005e-10 3.943002e-10 3.8469060000000003e-10 3.742648e-10 3.6287090000000004e-10 3.503108e-10 3.363181e-10 3.205236e-10 3.023935e-10 2.811152e-10 2.55361e-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" [ 0.914112 1.60486 2.12332 2.49948 2.78489 3.01 3.19255 3.34346 3.46988 3.57673 3.66756 3.745 3.81106 3.86732 3.91503 3.95522 3.98873 4.01626 4.03842 4.0557 4.06854 4.07733 4.0824 4.08403 4.08237 4.07703 4.06726 4.05245 4.03188 4.00465 3.9697 3.92578 3.87138 3.80469 3.72354 3.62528 3.50668 3.36374 3.19148 2.9839 2.73678 2.43062 2.05679 1.59768 1.02938 0.319034 -0.57946 -1.73262 -3.23934 -5.25242 -8.01892 -11.9623 -17.8644 -27.3231 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.464568887259008e-19 2.5712691928412395e-19 3.40193369050488e-19 4.00460845315032e-19 4.46188568626026e-19 4.822551668339999e-19 5.1150290128767e-19 5.356813488713639e-19 5.5593606587839195e-19 5.73055323212682e-19 5.876078935793039e-19 6.00015149433e-19 6.10599128277204e-19 6.19612974020088e-19 6.272569587409019e-19 6.33696106632948e-19 6.390650005334819e-19 6.434757928068839e-19 6.47026216227828e-19 6.497947774513799e-19 6.518519722494359e-19 6.532602855107219e-19 6.5407258906416e-19 6.54333743855502e-19 6.54067782534258e-19 6.532122202117019e-19 6.51646893640284e-19 6.4927407004533e-19 6.459783927091919e-19 6.416156657348099e-19 6.360160583989799e-19 6.2897929862245195e-19 6.202634577334919e-19 6.09578541761346e-19 5.96576878376436e-19 5.808338907707519e-19 5.61832075891512e-19 5.38930563085116e-19 5.11331468387832e-19 4.7807348581926e-19 4.38480496839852e-19 3.8942825701330794e-19 3.2953408790448597e-19 2.55976556460912e-19 1.6492485835069198e-19 5.1114882025155594e-20 -9.283972723376399e-20 -2.77596327960108e-19 -5.189994857581559e-19 -8.415304595954279e-19 -1.2847726253915279e-18 -1.91657175488982e-18 -2.86219242604296e-18 -4.37764323884454e-18 ] } }