{ "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" [ 8.14643 7.600588 7.262298 7.016511 6.823353 6.664212 6.528883 6.411158 6.30698 6.21355 6.128857 6.051405 5.980053 5.91391 5.852268 5.794551 5.740291 5.689096 5.640638 5.59464 5.550864 5.509105 5.469186 5.43095 5.392296 5.352462 5.311376 5.268954 5.225108 5.179738 5.132735 5.083978 5.033328 4.980635 4.925726 4.868406 4.808454 4.745617 4.679602 4.610072 4.53663 4.458811 4.376059 4.287706 4.192938 4.090752 3.979884 3.858724 3.725162 3.576366 3.408409 3.215616 2.989347 2.71548 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.146430000000001e-10 7.600588e-10 7.262298e-10 7.016511000000001e-10 6.823353e-10 6.664212e-10 6.528883000000001e-10 6.411158000000001e-10 6.306980000000001e-10 6.21355e-10 6.128857e-10 6.051405e-10 5.980053e-10 5.91391e-10 5.852268e-10 5.794551000000001e-10 5.740291000000001e-10 5.689096e-10 5.640638e-10 5.59464e-10 5.550864e-10 5.509105e-10 5.469186e-10 5.430950000000001e-10 5.392296e-10 5.352462e-10 5.311376e-10 5.268954e-10 5.225107999999999e-10 5.179738000000001e-10 5.132735e-10 5.083978e-10 5.033328e-10 4.980635e-10 4.925726e-10 4.868406e-10 4.808454e-10 4.745617e-10 4.679602000000001e-10 4.610072e-10 4.53663e-10 4.458811e-10 4.376059e-10 4.287706e-10 4.192938e-10 4.090752e-10 3.9798840000000005e-10 3.858724e-10 3.725162e-10 3.576366e-10 3.408409e-10 3.215616e-10 2.989347e-10 2.71548e-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" [ 0.00558183 0.374941 1.01746 1.62063 2.13145 2.55622 2.9097 3.2054 3.45412 3.66426 3.84235 3.99349 4.12173 4.2303 4.32182 4.39845 4.46197 4.51387 4.5554 4.58763 4.61147 4.6277 4.63702 4.64 4.63687 4.62689 4.60912 4.58242 4.54551 4.49685 4.43466 4.35727 4.26444 4.15888 4.04559 3.92859 3.80673 3.66994 3.49632 3.24986 2.87813 2.30947 1.44925 0.178503 -1.63767 -4.22526 -8.09056 -14.1557 -23.8337 -39.1447 -63.034 -101.315 -169.748 -317.949 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.94307760096022e-22 6.00721709328594e-20 1.63015063802964e-19 2.5965355183594197e-19 3.4149593865393e-19 4.09551595536348e-19 4.6618533519497995e-19 5.135616982623599e-19 5.534110355032079e-19 5.87079175290084e-19 6.1561233896499e-19 6.39827636611266e-19 6.603739497656821e-19 6.777687814810199e-19 6.924319020353879e-19 7.0470938158173e-19 7.14886407560898e-19 7.232017042913579e-19 7.298555438523599e-19 7.350193591437419e-19 7.388389482391979e-19 7.414392809161799e-19 7.429325095390679e-19 7.434099581759999e-19 7.42908476889558e-19 7.41309504608826e-19 7.384624367302079e-19 7.341846251174279e-19 7.28270991161334e-19 7.2047479966029e-19 7.10510863173444e-19 6.981116182029179e-19 6.832386125094959e-19 6.663260359609919e-19 6.481749768744059e-19 6.294295102566059e-19 6.099053857946819e-19 5.87989211618196e-19 5.60172220898688e-19 5.206849755771239e-19 4.611272635614419e-19 3.70017887092398e-19 2.3219544868244997e-19 2.8599333569890196e-20 -2.6238366082027796e-19 -6.769612844574839e-19 -1.296250618797504e-18 -2.2679931777913798e-18 -3.81857972417658e-18 -6.2716723684939796e-18 -1.0099160194755598e-17 -1.6232452567370998e-17 -2.7196627926823196e-17 -5.0941045860366596e-17 ] } }