{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 7.76633 7.245957 6.92345 6.689132 6.504986 6.35327 6.224255 6.112023 6.012705 5.923635 5.842893 5.769055 5.701033 5.637976 5.57921 5.524186 5.472457 5.423651 5.377454 5.333603 5.291869 5.252059 5.214001 5.17755 5.140699 5.102725 5.063555 5.023112 4.981312 4.938059 4.89325 4.846767 4.798481 4.748246 4.695899 4.641253 4.584099 4.524193 4.461259 4.394973 4.324958 4.25077 4.171879 4.087648 3.997302 3.899883 3.794189 3.678682 3.551351 3.409498 3.249378 3.065581 2.849868 2.58878 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.766330000000001e-10 7.245957e-10 6.923450000000001e-10 6.689132e-10 6.504985999999999e-10 6.35327e-10 6.224255e-10 6.112023e-10 6.012705000000001e-10 5.923635e-10 5.842893e-10 5.769055e-10 5.701033e-10 5.637976e-10 5.57921e-10 5.524186e-10 5.472457e-10 5.423651e-10 5.377454e-10 5.333603e-10 5.291869000000001e-10 5.252059e-10 5.214001e-10 5.17755e-10 5.140699e-10 5.102725e-10 5.063555e-10 5.023112000000001e-10 4.981312e-10 4.938059e-10 4.893250000000001e-10 4.846767e-10 4.798481e-10 4.748246e-10 4.695899e-10 4.641253e-10 4.5840990000000004e-10 4.5241930000000006e-10 4.4612590000000003e-10 4.3949730000000005e-10 4.3249579999999996e-10 4.25077e-10 4.171879e-10 4.0876479999999997e-10 3.997302e-10 3.899883e-10 3.794189e-10 3.678682e-10 3.551351e-10 3.4094980000000004e-10 3.2493780000000004e-10 3.065581e-10 2.849868e-10 2.5887799999999997e-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" [ 0.000726985 0.193259 0.627486 1.06847 1.45456 1.78139 2.05639 2.28816 2.48414 2.6504 2.79174 2.912 3.01424 3.10095 3.17415 3.23552 3.28644 3.32809 3.36144 3.38734 3.40651 3.41958 3.42707 3.42948 3.42695 3.41891 3.40457 3.38302 3.35322 3.31391 3.26363 3.20064 3.12308 3.02965 2.92002 2.7925 2.63944 2.44225 2.16778 1.76572 1.16605 0.275903 -1.02494 -2.88991 -5.51307 -9.21178 -14.6915 -23.2768 -37.0046 -58.7252 -92.4648 -146.373 -242.031 -447.393 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1647583802684899e-22 3.0963505411020596e-20 1.0053434073621239e-19 1.71187766812998e-19 2.33046204475104e-19 2.85410143404126e-19 3.2947000083912596e-19 3.6660364868534395e-19 3.98003106358476e-19 4.2464089507535994e-19 4.472860596203159e-19 4.665538358208e-19 4.82934489726816e-19 4.9682696332022995e-19 5.0855489628111e-19 5.18387454283968e-19 5.265457377042959e-19 5.332188033849059e-19 5.38562062459296e-19 5.4271169994135595e-19 5.457830725487339e-19 5.47877117409372e-19 5.49077147708238e-19 5.494632722770319e-19 5.4905792158862995e-19 5.47769771574894e-19 5.45472250281738e-19 5.42019559635468e-19 5.37245073266148e-19 5.30946916917894e-19 5.22891172802142e-19 5.12799062184576e-19 5.00372580211272e-19 4.8540344391981e-19 4.67838781481268e-19 4.474078250445e-19 4.22884909484496e-19 3.9129158843865e-19 3.47316646365252e-19 2.8289953261864795e-19 1.8682180640756999e-19 4.4204533985050196e-20 -1.6421349192519598e-19 -4.630146276362939e-19 -8.83291193560638e-19 -1.4758898673548517e-18 -2.3538378018410997e-18 -3.72935450742912e-18 -5.92879054705164e-18 -9.40881432669768e-18 -1.481449420274832e-17 -2.3451540044848198e-17 -3.87776412903654e-17 -7.168026108151619e-17 ] } }