{ "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" [ 7.79493 7.272641 6.948947 6.713766 6.528942 6.376669 6.247178 6.134533 6.03485 5.945451 5.864413 5.790303 5.72203 5.658741 5.599758 5.544532 5.492613 5.443627 5.39726 5.353247 5.31136 5.271403 5.233206 5.19662 5.171713 5.1455 5.117836 5.08855 5.057441 5.024266 4.988732 4.950477 4.909049 4.863874 4.814207 4.759054 4.697052 4.626254 4.543746 4.444871 4.321489 4.1573 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.79493e-10 7.272641e-10 6.948947000000001e-10 6.713766e-10 6.528942e-10 6.376669e-10 6.247178e-10 6.134533e-10 6.03485e-10 5.945451000000001e-10 5.864413e-10 5.790303e-10 5.722030000000001e-10 5.658741e-10 5.599758e-10 5.544532000000001e-10 5.492613e-10 5.443627e-10 5.39726e-10 5.353247e-10 5.31136e-10 5.271403000000001e-10 5.233206e-10 5.196620000000001e-10 5.171713e-10 5.1455e-10 5.117836e-10 5.08855e-10 5.057441e-10 5.024266e-10 4.988731999999999e-10 4.950477000000001e-10 4.909049e-10 4.863874e-10 4.814207e-10 4.759054e-10 4.697052e-10 4.6262540000000007e-10 4.5437459999999997e-10 4.4448710000000004e-10 4.3214889999999996e-10 4.1573e-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" [ 0.828799 1.1494 1.38473 1.57273 1.74676 1.90682 2.048 2.17208 2.28134 2.37758 2.46222 2.53639 2.60231 2.66263 2.71698 2.76517 2.80718 2.8431 2.87304 2.89716 2.91561 2.92859 2.93625 2.93877 2.93754 2.93347 2.9259 2.91395 2.89651 2.87158 2.83573 2.78612 2.71895 2.62891 2.50841 2.34646 2.12713 1.82353 1.39 0.743312 -0.28419 -2.09146 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3278823811424192e-19 1.84154180794752e-19 2.218582032120384e-19 2.519791236830784e-19 2.7986180341486085e-19 3.055062424073856e-19 3.2812577193984004e-19 3.480055794507264e-19 3.6551096120958723e-19 3.8093030900816644e-19 3.944911319266176e-19 4.063744759230912e-19 4.1693602420740484e-19 4.266003535840704e-19 4.353081835181184e-19 4.430290726537537e-19 4.497598166377344e-19 4.555148350596481e-19 4.603117518623232e-19 4.641762018716928e-19 4.671322177370688e-19 4.692118429908672e-19 4.704391102824e-19 4.708428587908416e-19 4.706457910664832e-19 4.699937051818176e-19 4.68780857479872e-19 4.66866256418016e-19 4.640720603913409e-19 4.600778340756864e-19 4.543340308901184e-19 4.463856326743296e-19 4.35623812312416e-19 4.211978140187328e-19 4.0189158573809283e-19 3.759443353642368e-19 3.4080379554023045e-19 2.9216171333274245e-19 2.227025502912e-19 1.1909171083600895e-19 -4.5532257386515204e-20 -3.350888315338368e-19 ] } }