{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 9.27303 8.651703 8.266629 7.986852 7.766982 7.585833 7.431789 7.297783 7.179198 7.072847 6.976442 6.888279 6.80706 6.73177 6.661603 6.595904 6.53414 6.475865 6.420706 6.368347 6.318517 6.270983 6.225543 6.18202 6.13802 6.092678 6.045909 5.997621 5.947711 5.896067 5.842563 5.787062 5.729409 5.669428 5.606925 5.541678 5.473435 5.401907 5.326763 5.247617 5.164019 5.075438 4.981241 4.880669 4.772796 4.656477 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.27303e-10 8.651703e-10 8.266629e-10 7.986852e-10 7.766982e-10 7.585833e-10 7.431789000000001e-10 7.297783e-10 7.179198000000001e-10 7.072847e-10 6.976442e-10 6.888279e-10 6.80706e-10 6.73177e-10 6.661603000000001e-10 6.595904e-10 6.534140000000001e-10 6.475865e-10 6.420706e-10 6.368347e-10 6.318517e-10 6.270983e-10 6.225543e-10 6.18202e-10 6.13802e-10 6.092678e-10 6.045909000000001e-10 5.997621e-10 5.947711e-10 5.896067000000001e-10 5.842563000000001e-10 5.787062e-10 5.729409000000001e-10 5.669428e-10 5.606925e-10 5.541678e-10 5.473435000000001e-10 5.401907e-10 5.326763e-10 5.247617e-10 5.164019e-10 5.075438000000001e-10 4.981241e-10 4.880669e-10 4.772796e-10 4.656477e-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" [ 0.76889 1.15252 1.48969 1.79871 2.08755 2.35813 2.61339 2.85333 3.07871 3.28999 3.48763 3.67202 3.84266 3.99948 4.14295 4.27283 4.38837 4.48935 4.5755 4.64653 4.70217 4.74208 4.76666 4.77496 4.76559 4.73427 4.67521 4.58148 4.44337 4.24886 3.98239 3.62372 3.14622 2.51483 1.68188 0.583039 -0.869212 -2.79962 -5.3835 -8.87207 -13.6386 -20.2441 -29.561 -42.9771 -62.7828 -92.9168 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.23189759211626e-19 1.8465406142176798e-19 2.3867465099034597e-19 2.88185113334214e-19 3.3446238323066996e-19 3.77814078593442e-19 4.1871123935292596e-19 4.57153865509122e-19 4.93263722486214e-19 5.271145104093659e-19 5.587799294037419e-19 5.883224643580679e-19 6.15662006440644e-19 6.407873404150319e-19 6.637737685830299e-19 6.8458283870542195e-19 7.030943875346579e-19 7.192731671847899e-19 7.330759188866999e-19 7.44456179518002e-19 7.533706903095779e-19 7.597649772558719e-19 7.63703127422244e-19 7.65032934028464e-19 7.63531694522406e-19 7.58513677304718e-19 7.490512221043139e-19 7.34034020513832e-19 7.119063590216579e-19 6.807424213137239e-19 6.38049220547526e-19 5.80583951215848e-19 5.04080016942348e-19 4.02920186448222e-19 2.69466883719192e-19 9.341314625107259e-20 -1.392631156392408e-19 -4.485485748079079e-19 -8.625317909138999e-19 -1.4214623249212381e-18 -2.1851446240472398e-18 -3.24346239963594e-18 -4.7361943477674e-18 -6.8856905417081395e-18 -1.0058913517709519e-17 -1.4886912586605117e-17 ] } }