{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ti" ] } "a" { "source-value" [ 3.91966 3.657029 3.494261 3.376001 3.283063 3.206493 3.141379 3.084736 3.034611 2.989657 2.948907 2.911641 2.87731 2.845486 2.815826 2.788056 2.761949 2.737316 2.714001 2.691869 2.670807 2.650714 2.631507 2.61311 2.594511 2.575345 2.555576 2.535165 2.514068 2.492238 2.469623 2.446163 2.421793 2.396439 2.370019 2.342439 2.313593 2.283359 2.251596 2.218141 2.182804 2.145361 2.105545 2.063033 2.017435 1.968268 1.914924 1.856627 1.792363 1.720769 1.639956 1.547193 1.438322 1.30655 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.91966e-10 3.6570290000000003e-10 3.494261e-10 3.3760010000000003e-10 3.283063e-10 3.206493e-10 3.141379e-10 3.084736e-10 3.034611e-10 2.989657e-10 2.948907e-10 2.911641e-10 2.87731e-10 2.8454860000000003e-10 2.8158260000000003e-10 2.7880560000000004e-10 2.761949e-10 2.737316e-10 2.7140010000000005e-10 2.691869e-10 2.670807e-10 2.650714e-10 2.6315070000000003e-10 2.61311e-10 2.594511e-10 2.5753450000000003e-10 2.555576e-10 2.5351650000000004e-10 2.5140680000000003e-10 2.492238e-10 2.469623e-10 2.446163e-10 2.421793e-10 2.396439e-10 2.370019e-10 2.342439e-10 2.313593e-10 2.283359e-10 2.2515960000000003e-10 2.2181410000000002e-10 2.182804e-10 2.145361e-10 2.1055450000000002e-10 2.063033e-10 2.017435e-10 1.968268e-10 1.9149240000000002e-10 1.8566270000000002e-10 1.792363e-10 1.720769e-10 1.639956e-10 1.5471930000000002e-10 1.438322e-10 1.3065500000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.39715 1.76414 2.34538 2.64915 2.88146 3.07535 3.23939 3.37934 3.49928 3.60223 3.69052 3.76596 3.85434 3.98624 4.04588 4.09588 4.13825 4.1736 4.20244 4.22524 4.2424 4.25427 4.26119 4.26344 4.26103 4.25327 4.23924 4.21786 4.18782 4.1476 4.09535 4.02883 3.94536 3.84163 3.7136 3.55629 3.36345 3.12726 2.83776 2.48219 2.044 1.5014 0.825332 -0.0236754 -1.10012 -2.48101 -4.27791 -6.6571 -9.87519 -14.345 -20.7655 -30.3982 -45.7183 -72.1625 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2384810841931e-19 2.82646388710476e-19 3.75771303385092e-19 4.2444062299611e-19 4.61660788380564e-19 4.927253911371899e-19 5.19007496641326e-19 5.414299586341559e-19 5.60646465182352e-19 5.77140873629382e-19 5.912864911309679e-19 6.03373311657864e-19 6.175333487491559e-19 6.38666058551616e-19 6.48221439996792e-19 6.56232323166792e-19 6.6302074556505e-19 6.6868443996624e-19 6.73305117378696e-19 6.76958080104216e-19 6.797074152081599e-19 6.81609198872718e-19 6.82717905103446e-19 6.830783948460959e-19 6.82692270277302e-19 6.814489812093179e-19 6.792011273918159e-19 6.757756737483239e-19 6.70962735139788e-19 6.645187807178399e-19 6.561474078051899e-19 6.454897288358219e-19 6.321163604718239e-19 6.154969822473419e-19 5.9498431480224e-19 5.69780474172786e-19 5.388840999627299e-19 5.0104229004428395e-19 4.546592764899839e-19 3.97690681914846e-19 3.274849039896e-19 2.4055079982876e-19 1.3223276456924878e-19 -3.79321726806036e-21 -1.76258655859608e-19 -3.9750162507203395e-19 -6.85396744435494e-19 -1.0665850070201398e-18 -1.582179867431046e-18 -2.298322381473e-18 -3.3269998893326997e-18 -4.87032857556588e-18 -7.32487920062022e-18 -1.1561707135102498e-17 ] } }