{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.06289 5.656655 5.404886 5.221963 5.078208 4.959769 4.859052 4.771437 4.693903 4.62437 4.561338 4.503695 4.450593 4.401367 4.35549 4.312535 4.272153 4.234052 4.197988 4.163754 4.131175 4.100096 4.070386 4.04193 4.013162 3.983516 3.952938 3.921366 3.888733 3.854967 3.819986 3.783698 3.746003 3.706786 3.66592 3.62326 3.578641 3.531875 3.482744 3.430997 3.376339 3.318422 3.256835 3.191078 3.120548 3.044497 2.961984 2.871812 2.772409 2.661668 2.536668 2.393183 2.224783 2.02096 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.062890000000001e-10 5.656655e-10 5.404886e-10 5.221963e-10 5.078208000000001e-10 4.959769e-10 4.859052000000001e-10 4.771437e-10 4.693903e-10 4.62437e-10 4.5613380000000003e-10 4.5036949999999996e-10 4.450593e-10 4.4013669999999997e-10 4.35549e-10 4.3125349999999996e-10 4.2721530000000005e-10 4.234052e-10 4.1979879999999997e-10 4.163754e-10 4.131175e-10 4.100096e-10 4.0703860000000004e-10 4.04193e-10 4.0131620000000005e-10 3.983516e-10 3.952938e-10 3.921366e-10 3.8887330000000004e-10 3.854967e-10 3.8199860000000004e-10 3.783698e-10 3.746003e-10 3.706786e-10 3.66592e-10 3.6232600000000005e-10 3.578641e-10 3.531875e-10 3.482744e-10 3.4309970000000004e-10 3.3763390000000006e-10 3.318422e-10 3.2568350000000004e-10 3.191078e-10 3.120548e-10 3.044497e-10 2.9619840000000003e-10 2.871812e-10 2.7724090000000005e-10 2.6616680000000004e-10 2.5366680000000003e-10 2.3931830000000003e-10 2.224783e-10 2.0209600000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.000408055 1.92825 2.14223 2.31978 2.47068 2.60083 2.71414 2.81339 2.90059 2.97731 3.04476 3.10393 3.15562 3.20051 3.23914 3.27202 3.29956 3.32211 3.34 3.35352 3.3629 3.36839 3.37018 3.36825 3.35916 3.34113 3.32177 3.29693 3.26373 3.22054 3.16544 3.09608 3.00959 2.90244 2.7702 2.60735 2.40688 2.15984 1.85468 1.47629 1.00465 0.412878 -0.335817 -1.29264 -2.53054 -4.15606 -6.32929 -9.29962 -13.4718 -19.5372 -28.7559 -43.6233 -69.6699 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 6.537761863868699e-23 3.0893970945105e-19 3.43223085065382e-19 3.71669731202052e-19 3.95846576609112e-19 4.1669890550062203e-19 4.34853168940476e-19 4.50754772032926e-19 4.647257522814059e-19 4.77017651417454e-19 4.87824332813784e-19 4.97304411957162e-19 5.05586062978308e-19 5.12778233888334e-19 5.18967442225476e-19 5.242353989980679e-19 5.286477934481039e-19 5.32260701757774e-19 5.351269957559999e-19 5.37293138565168e-19 5.387959802478599e-19 5.39675575219926e-19 5.399623648374119e-19 5.3965314474705e-19 5.38196766186744e-19 5.35308041715642e-19 5.322062277522179e-19 5.28226420993362e-19 5.229071945684819e-19 5.15987393686236e-19 5.07159400432896e-19 4.96046703299472e-19 4.82189477592006e-19 4.65022154958696e-19 4.4383497115068e-19 4.177435246659899e-19 3.85624689684192e-19 3.4604451811785596e-19 2.97152495954712e-19 2.36527734300786e-19 1.6096267553481e-19 6.61503484292652e-20 -5.380381506999779e-20 -2.0710376041737598e-19 -4.0543720594023593e-19 -6.65874222150204e-19 -1.014064054780986e-18 -1.489963386907908e-18 -2.15842031779212e-18 -3.1302045333784797e-18 -4.6072031069640596e-18 -6.989223195797219e-18 -1.116234858731166e-17 ] } }