{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.17673 7.628858 7.289309 7.042609 6.848732 6.688999 6.553167 6.435004 6.330438 6.236661 6.151652 6.073913 6.002295 5.935907 5.874035 5.816103 5.761641 5.710256 5.661618 5.615449 5.57151 5.529596 5.489528 5.45115 5.412352 5.37237 5.331131 5.288551 5.244542 5.199004 5.151826 5.102887 5.052049 4.99916 4.944046 4.886513 4.826338 4.763267 4.697007 4.627219 4.553504 4.475395 4.392335 4.303654 4.208534 4.105967 3.994687 3.873076 3.739017 3.589668 3.421086 3.227576 3.000465 2.72558 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.17673e-10 7.628858e-10 7.289309000000001e-10 7.042609e-10 6.848732e-10 6.688999e-10 6.553167000000001e-10 6.435004e-10 6.330438e-10 6.236661e-10 6.151652000000001e-10 6.073913e-10 6.002295000000001e-10 5.935907e-10 5.874035e-10 5.816103e-10 5.761641000000001e-10 5.710256000000001e-10 5.661618e-10 5.615449e-10 5.57151e-10 5.529596e-10 5.489528e-10 5.45115e-10 5.412352e-10 5.372370000000001e-10 5.331131e-10 5.288551000000001e-10 5.244542e-10 5.199004000000001e-10 5.151826e-10 5.102887e-10 5.052049000000001e-10 4.99916e-10 4.944046e-10 4.886513e-10 4.826338e-10 4.763267e-10 4.697007000000001e-10 4.627219e-10 4.5535040000000006e-10 4.475395e-10 4.392335e-10 4.303654e-10 4.2085340000000005e-10 4.105967e-10 3.994687e-10 3.8730760000000004e-10 3.739017e-10 3.589668e-10 3.421086e-10 3.227576e-10 3.0004650000000004e-10 2.72558e-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" [ 0.938596 1.31099 1.59463 1.82071 2.00889 2.16873 2.3067 2.42797 2.53343 2.62515 2.70536 2.77553 2.83679 2.89003 2.93603 2.97543 3.00878 3.03656 3.05919 3.07703 3.09042 3.09964 3.10498 3.1067 3.10488 3.099 3.08828 3.07173 3.04835 3.01699 2.97628 2.92456 2.85984 2.7798 2.6818 2.56204 2.41518 2.23545 2.01588 1.74736 1.41814 1.01308 0.513846 -0.107033 -0.889461 -1.88061 -3.15499 -4.81779 -7.02188 -10.007 -14.1627 -20.1222 -28.997 -42.6372 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5037965799658638e-19 2.10043754540766e-19 2.55487892587542e-19 2.91709901929014e-19 3.21859661827626e-19 3.47468853145482e-19 3.6957408416478e-19 3.89003680205298e-19 4.05900234987462e-19 4.2059539907450997e-19 4.33446457855824e-19 4.446889312966019e-19 4.54503865356486e-19 4.6303385375590195e-19 4.70403866272302e-19 4.767164422102619e-19 4.820597012846519e-19 4.865105479739039e-19 4.90136273696646e-19 4.92994556811702e-19 4.95139871324628e-19 4.96617078181176e-19 4.974726405037319e-19 4.9774821488478e-19 4.97456618737392e-19 4.965145388766e-19 4.94797005524952e-19 4.9214540319568195e-19 4.8839951422539e-19 4.83375088301166e-19 4.76852627224152e-19 4.68566169673104e-19 4.5819688249785595e-19 4.453730607193199e-19 4.2967172970611996e-19 4.10484062337336e-19 3.8695449629041193e-19 3.5815857564753e-19 3.22979583294792e-19 2.79957936318624e-19 2.27211077174076e-19 1.62313310437272e-19 8.23272054674364e-20 -1.71485771666922e-20 -1.425073631054274e-19 -3.0130693996667394e-19 -5.05485125850366e-19 -7.718950565518858e-19 -1.125029206275192e-18 -1.6032981576437999e-18 -2.2691147014351795e-18 -3.2239318664674797e-18 -4.6458315856098e-18 -6.8312325579184795e-18 ] } }