{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.15312 3.874846 3.702383 3.57708 3.478606 3.397476 3.328484 3.268467 3.215356 3.167725 3.124547 3.085062 3.048686 3.014966 2.983541 2.954116 2.926454 2.900354 2.87565 2.8522 2.829883 2.808594 2.788243 2.76875 2.749044 2.728736 2.70779 2.686162 2.663809 2.640679 2.616717 2.591859 2.566038 2.539174 2.51118 2.481958 2.451394 2.419359 2.385704 2.350256 2.312815 2.273142 2.230954 2.18591 2.137596 2.0855 2.028979 1.96721 1.899118 1.82326 1.737634 1.639346 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.1531200000000005e-10 3.874846e-10 3.7023830000000003e-10 3.5770800000000003e-10 3.478606e-10 3.3974760000000005e-10 3.328484e-10 3.268467e-10 3.215356e-10 3.167725e-10 3.1245470000000004e-10 3.0850620000000003e-10 3.048686e-10 3.014966e-10 2.983541e-10 2.954116e-10 2.926454e-10 2.900354e-10 2.87565e-10 2.8521999999999997e-10 2.8298830000000005e-10 2.808594e-10 2.788243e-10 2.76875e-10 2.749044e-10 2.728736e-10 2.70779e-10 2.6861620000000003e-10 2.6638090000000004e-10 2.640679e-10 2.616717e-10 2.591859e-10 2.566038e-10 2.5391740000000004e-10 2.51118e-10 2.4819580000000004e-10 2.451394e-10 2.4193590000000003e-10 2.385704e-10 2.350256e-10 2.3128150000000001e-10 2.273142e-10 2.2309540000000002e-10 2.18591e-10 2.137596e-10 2.0855000000000002e-10 2.0289790000000002e-10 1.96721e-10 1.8991180000000002e-10 1.8232600000000002e-10 1.737634e-10 1.6393460000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.36514 1.95525 2.36117 2.65819 2.89351 3.0946 3.2745 3.43845 3.58689 3.71906 3.83464 3.934 4.01825 4.0891 4.14833 4.19754 4.23814 4.27132 4.29806 4.3191 4.33496 4.346 4.35248 4.35461 4.35229 4.3447 4.33073 4.30903 4.27791 4.2353 4.17864 4.10479 4.00982 3.88868 3.73485 3.54004 3.29369 2.98258 2.59011 2.09557 1.47333 0.692152 -0.285839 -1.50807 -3.04024 -4.98697 -7.51519 -10.8805 -15.4816 -21.9728 -31.5704 -45.2592 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.18719541013876e-19 3.1326558636285e-19 3.78301140290178e-19 4.2588899067324596e-19 4.635914112245339e-19 4.958095811576399e-19 5.246327388033e-19 5.509004247177299e-19 5.74683134672826e-19 5.958591032444039e-19 6.14377060780176e-19 6.302962878156e-19 6.4379462595705e-19 6.5514604740894e-19 6.646357396121219e-19 6.725200508280359e-19 6.790248879620759e-19 6.84340910033688e-19 6.88625130353004e-19 6.919961099909399e-19 6.945371621324639e-19 6.963059651364e-19 6.973441755952319e-19 6.97685439218274e-19 6.97313734239186e-19 6.960976821739799e-19 6.938594414162819e-19 6.903827181205019e-19 6.85396744435494e-19 6.785698697980199e-19 6.694919369897759e-19 6.57659862547686e-19 6.424439910545881e-19 6.230352233103119e-19 5.983889401494899e-19 5.67176937142536e-19 5.27707315763946e-19 4.778619985035719e-19 4.14981372148974e-19 3.3574732889113797e-19 2.36053490017122e-19 1.108949761576368e-19 -4.57964566885926e-20 -2.41619451643638e-19 -4.87100148975216e-19 -7.99000680845898e-19 -1.2040661818070459e-18 -1.7432482866237e-18 -2.4804257776934398e-18 -3.520430674355519e-18 -5.0581357206033595e-18 -7.251323271353279e-18 ] } }