{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "C" "C" "C" "C" ] } "a" { "source-value" [ 4.09814 3.823549 3.653368 3.529723 3.432553 3.352495 3.284416 3.225194 3.172786 3.125785 3.083179 3.044216 3.008322 2.975048 2.944038 2.915003 2.887707 2.861953 2.837576 2.814436 2.792414 2.771407 2.751325 2.73209 2.712645 2.692606 2.671937 2.650596 2.628539 2.605715 2.58207 2.557541 2.532062 2.505554 2.477931 2.449095 2.418936 2.387325 2.354115 2.319137 2.282192 2.243044 2.201414 2.156967 2.109293 2.057887 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.09814e-10 3.823549e-10 3.653368e-10 3.5297230000000003e-10 3.432553e-10 3.352495e-10 3.284416e-10 3.225194e-10 3.172786e-10 3.125785e-10 3.083179e-10 3.044216e-10 3.008322e-10 2.9750480000000004e-10 2.944038e-10 2.915003e-10 2.887707e-10 2.861953e-10 2.837576e-10 2.814436e-10 2.792414e-10 2.771407e-10 2.7513250000000003e-10 2.73209e-10 2.7126450000000004e-10 2.692606e-10 2.671937e-10 2.6505960000000004e-10 2.6285390000000003e-10 2.605715e-10 2.58207e-10 2.5575410000000004e-10 2.532062e-10 2.505554e-10 2.477931e-10 2.449095e-10 2.418936e-10 2.3873250000000003e-10 2.3541150000000003e-10 2.3191370000000002e-10 2.2821920000000002e-10 2.243044e-10 2.2014140000000003e-10 2.156967e-10 2.1092930000000002e-10 2.0578870000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ -0.551499 0.026982 0.500102 0.798962 1.11924 1.50037 1.87241 2.14126 2.29564 2.38813 2.50411 2.70909 3.00806 3.34514 3.65783 3.91502 4.11145 4.257 4.36533 4.44675 4.50732 4.54978 4.57515 4.58367 4.57379 4.53962 4.47509 4.38779 4.31139 4.27309 4.23375 4.08084 3.92508 3.89401 3.89496 3.88948 3.87118 3.80784 3.68232 3.44763 3.05208 2.63829 2.46475 2.46079 2.48474 2.38063 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -8.835988114743659e-20 4.322992993858799e-21 8.01251739016668e-20 1.280078247853908e-19 1.7932201758381599e-19 2.40385775635458e-19 2.9999315512679396e-19 3.43067673931884e-19 3.67802076807576e-19 3.8262060849544197e-19 4.0120265309657397e-19 4.34044069740306e-19 4.819443445670039e-19 5.359505145458759e-19 5.86048975714422e-19 6.27255356564268e-19 6.587269121859299e-19 6.820465930937999e-19 6.99402972569922e-19 7.124478947239499e-19 7.221522785960879e-19 7.28955120584052e-19 7.3301984270450995e-19 7.343848971966779e-19 7.328019466822859e-19 7.27327309123908e-19 7.169884633047059e-19 7.030014612898859e-19 6.90760831806126e-19 6.84624495297906e-19 6.783215324197499e-19 6.53822649509256e-19 6.28867146258072e-19 6.23889183456234e-19 6.24041390236464e-19 6.23163397441032e-19 6.20231414200812e-19 6.10083227401056e-19 5.8997270629108795e-19 5.52371222867742e-19 4.88997126109872e-19 4.22700659171586e-19 3.9489648586515e-19 3.9426202391808595e-19 3.9809923695651596e-19 3.81418976019942e-19 ] } }