{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 11.6614 10.880038 10.395781 10.043942 9.76744 9.539633 9.345911 9.177389 9.02826 8.894517 8.773281 8.66241 8.560271 8.465589 8.377348 8.294728 8.217056 8.143771 8.074405 8.00856 7.945895 7.886118 7.828973 7.77424 7.718908 7.661887 7.603073 7.542347 7.479583 7.414637 7.347354 7.277559 7.205055 7.129626 7.051025 6.968973 6.883154 6.793204 6.698706 6.599176 6.494046 6.38265 6.264193 6.137718 6.002061 5.855783 5.69708 5.523642 5.332451 5.119454 4.879028 4.603051 4.279153 3.88712 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.16614e-09 1.0880038000000001e-09 1.0395781e-09 1.0043942e-09 9.767440000000001e-10 9.539633e-10 9.345911e-10 9.177389e-10 9.028259999999999e-10 8.894517000000001e-10 8.773281000000001e-10 8.66241e-10 8.560271000000001e-10 8.465589e-10 8.377347999999999e-10 8.294728e-10 8.217056e-10 8.143770999999999e-10 8.074405000000001e-10 8.008559999999999e-10 7.945895000000001e-10 7.886118e-10 7.828973e-10 7.77424e-10 7.718908000000001e-10 7.661887e-10 7.603073e-10 7.542347e-10 7.479583e-10 7.414637e-10 7.347354000000001e-10 7.277559e-10 7.205055e-10 7.129626e-10 7.051025e-10 6.968973e-10 6.883154e-10 6.793204e-10 6.698706e-10 6.599176e-10 6.494046000000001e-10 6.38265e-10 6.264193e-10 6.137718e-10 6.002061e-10 5.855783e-10 5.69708e-10 5.523642e-10 5.332451e-10 5.119454000000001e-10 4.879028e-10 4.603051e-10 4.279153e-10 3.88712e-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" [ 0.19258 0.279885 0.349699 0.408512 0.459396 0.504105 0.54369 0.578966 0.61047 0.638625 0.66377 0.686181 0.706083 0.723689 0.739138 0.752569 0.7641 0.773856 0.78193 0.788388 0.793304 0.796744 0.798768 0.799432 0.798712 0.79637 0.792118 0.785559 0.776232 0.763582 0.746942 0.725484 0.698173 0.663733 0.620568 0.566663 0.499459 0.415636 0.310946 0.1797 0.0143374 -0.195247 -0.463134 -0.809032 -1.26134 -1.86172 -2.67341 -3.79544 -5.3903 -7.73768 -11.3515 -17.256 -27.7292 -48.6797 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.0854717617572e-20 4.4842520720709e-20 5.60279566733166e-20 6.545083811086079e-20 7.36033536953064e-20 8.076652520825699e-20 8.7108741413946e-20 9.276057970804439e-20 9.780807697579799e-20 1.02319005288825e-19 1.0634767843501799e-19 1.099383164894754e-19 1.1312696842646219e-19 1.159477606082826e-19 1.184229632901492e-19 1.205748467272746e-19 1.2242231660394e-19 1.239854001280704e-19 1.25278997542362e-19 1.2631368321259918e-19 1.2710131324587359e-19 1.276524620079696e-19 1.2797674255869119e-19 1.280831270871888e-19 1.279677703695408e-19 1.27592540601858e-19 1.269112950970812e-19 1.258604274428406e-19 1.243660772963088e-19 1.223393238542988e-19 1.1967330193532278e-19 1.1623535131408558e-19 1.118596467089682e-19 1.0634175038147219e-19 9.94259549408112e-20 9.07894217952342e-20 8.002215394410059e-20 6.659222874492239e-20 4.9819041563576394e-20 2.879111411298e-20 2.29710472723116e-21 -3.12820181258598e-20 -7.42022473210956e-20 -1.296212166558288e-19 -2.0208894755295598e-19 -2.98280428305048e-19 -4.2832750351019397e-19 -6.08096528374896e-19 -8.636212710250199e-19 -1.239713009736912e-18 -1.8187108060851e-18 -2.7647159996303997e-18 -4.4427076319512795e-18 -7.79934778901298e-18 ] } }