{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 8.63682 8.058121 7.699467 7.438885 7.2341 7.065379 6.921904 6.797092 6.686643 6.587589 6.497797 6.415683 6.340037 6.269912 6.204559 6.143368 6.085842 6.031565 5.98019 5.931424 5.885012 5.84074 5.798417 5.75788 5.730283 5.701239 5.670586 5.638137 5.603668 5.56691 5.527537 5.48515 5.439247 5.389193 5.334162 5.273052 5.204352 5.125907 5.034487 4.924933 4.788223 4.6063 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.636820000000001e-10 8.058121e-10 7.699467000000001e-10 7.438885e-10 7.2341e-10 7.065379000000001e-10 6.921904e-10 6.797092000000001e-10 6.686643000000001e-10 6.587589000000001e-10 6.497797e-10 6.415683e-10 6.340037e-10 6.269912e-10 6.204559e-10 6.143368e-10 6.085842000000001e-10 6.031565e-10 5.980190000000001e-10 5.931424e-10 5.885012e-10 5.840740000000001e-10 5.798417e-10 5.75788e-10 5.730283e-10 5.701239e-10 5.670586000000001e-10 5.638137000000001e-10 5.603668e-10 5.56691e-10 5.527537e-10 5.48515e-10 5.439247e-10 5.389193e-10 5.334162e-10 5.273052e-10 5.204352e-10 5.125907e-10 5.034487000000001e-10 4.924933e-10 4.788223e-10 4.6063000000000004e-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" [ 1.01959 1.63413 2.29624 2.87768 3.35511 3.74556 4.15457 4.42447 4.65063 4.84159 5.00368 5.14167 5.25922 5.35922 5.44396 5.5153 5.57476 5.62363 5.6832 5.71873 5.74111 5.75641 5.76523 5.76807 5.76671 5.76229 5.75417 5.74156 5.72344 5.69854 5.66517 5.62112 5.5634 5.48789 5.38879 5.25761 5.08152 4.84019 4.49936 3.99657 3.20421 1.8142 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.633563260801472e-19 2.618164881347904e-19 3.6789820437457924e-19 4.610551618143744e-19 5.375478802212288e-19 6.001048663803648e-19 6.656354923477056e-19 7.088782393430977e-19 7.451130657991104e-19 7.757082305499072e-19 8.016779113964545e-19 8.237863465868737e-19 8.426199327643776e-19 8.586416989723776e-19 8.722185436570369e-19 8.83648471669824e-19 8.931750138571009e-19 9.010048510029504e-19 9.10549017133056e-19 9.162415506667584e-19 9.198272219441088e-19 9.22278552173933e-19 9.236916719534785e-19 9.241466901137856e-19 9.239287940933568e-19 9.232206320269632e-19 9.219196646108736e-19 9.198993198920449e-19 9.169961758551553e-19 9.130067560693634e-19 9.076602926857537e-19 9.006027046711297e-19 8.91354941215872e-19 8.792569055522112e-19 8.633793352400832e-19 8.423619823284288e-19 8.141492542127617e-19 7.754839258229952e-19 7.2087694005626885e-19 6.403211017390657e-19 5.133710350133568e-19 2.9066688254553604e-19 ] } }