{ "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 9.94065 9.27459 8.861792 8.561873 8.326172 8.131982 7.966847 7.823193 7.69607 7.582063 7.478717 7.384207 7.29714 7.21643 7.14121 7.070782 7.004571 6.942101 6.882971 6.826842 6.773425 6.722468 6.673757 6.6271 6.595337 6.561908 6.526629 6.489281 6.449608 6.407301 6.361985 6.313199 6.260367 6.202757 6.139418 6.069083 5.990013 5.899726 5.794505 5.668413 5.511066 5.30168 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.94065e-10 9.27459e-10 8.861792e-10 8.561873000000001e-10 8.326172e-10 8.131982000000001e-10 7.966847e-10 7.823193e-10 7.69607e-10 7.582063e-10 7.478716999999999e-10 7.384207e-10 7.29714e-10 7.21643e-10 7.14121e-10 7.070782e-10 7.004571000000001e-10 6.942101000000001e-10 6.882971000000001e-10 6.826842000000001e-10 6.773425e-10 6.722468e-10 6.673757e-10 6.627100000000001e-10 6.595337e-10 6.561908e-10 6.526629e-10 6.489281000000001e-10 6.449608e-10 6.407301e-10 6.361985e-10 6.313199e-10 6.260367e-10 6.202757e-10 6.139418e-10 6.069083e-10 5.990013e-10 5.899726000000001e-10 5.794505000000001e-10 5.668413000000001e-10 5.511066e-10 5.30168e-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 8.49591e-21 0.000167674 0.00967774 0.0469701 0.109598 0.186152 0.267417 0.347682 0.423769 0.494057 0.557837 0.614916 0.665388 0.709503 0.747581 0.779978 0.807048 0.82914 0.846582 0.859683 0.868727 0.873978 0.875678 0.874862 0.872192 0.867271 0.859601 0.848553 0.833317 0.81284 0.785725 0.75009 0.703341 0.641801 0.560103 0.450103 0.298836 0.084359 -0.233636 -0.738257 -1.62897 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.3611948374420929e-39 2.6864336271601924e-23 1.5505448770180993e-21 7.525439609663809e-21 1.755953532864384e-20 2.9824838231516166e-20 4.2844926540447365e-20 5.570479718729856e-20 6.789527844197952e-20 7.915665747425856e-20 8.937533996172098e-20 9.852040389558529e-20 1.0660690973608704e-19 1.1367491189874624e-19 1.1977568003542849e-19 1.2496625163383423e-19 1.2930334374633985e-19 1.3284287233701122e-19 1.3563738879901055e-19 1.3773640038992064e-19 1.3918540892577218e-19 1.4002671186935424e-19 1.4029908189489024e-19 1.4016834428263298e-19 1.3974056312487936e-19 1.3895213200978369e-19 1.3772326254163007e-19 1.3595317781097024e-19 1.3351210151151936e-19 1.3023132444510722e-19 1.2588702253780802e-19 1.2017766614958722e-19 1.1268765066500928e-19 1.0282785574060608e-19 8.973839318399424e-20 7.211445035519424e-20 4.787880526533888e-20 1.3515801755406721e-20 -3.743261369772288e-20 -1.1828181055419458e-19 -2.6098976499845764e-19 ] } }