{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.69543 8.112803 7.751715 7.489365 7.283189 7.113324 6.968874 6.843215 6.732016 6.63229 6.541889 6.459218 6.383058 6.312458 6.246661 6.185055 6.127138 6.072492 6.020769 5.971672 5.924945 5.880372 5.837762 5.79695 5.769166 5.739925 5.709064 5.676395 5.641692 5.604685 5.565045 5.52237 5.476156 5.425763 5.370358 5.308834 5.239668 5.160691 5.068651 4.958354 4.820717 4.63756 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.69543e-10 8.112803e-10 7.751715e-10 7.489365e-10 7.283189000000001e-10 7.113324000000001e-10 6.968874e-10 6.843215e-10 6.732016e-10 6.632290000000001e-10 6.541889000000001e-10 6.459218e-10 6.383058e-10 6.312458000000001e-10 6.246661e-10 6.185055000000001e-10 6.127138e-10 6.072492e-10 6.020769e-10 5.971672000000001e-10 5.924945000000001e-10 5.880372000000001e-10 5.837762e-10 5.79695e-10 5.769166000000001e-10 5.739925000000001e-10 5.709064e-10 5.676395000000001e-10 5.641692e-10 5.604685e-10 5.565045e-10 5.52237e-10 5.476156e-10 5.425763e-10 5.370358e-10 5.308834e-10 5.239668e-10 5.160691e-10 5.068651e-10 4.958354e-10 4.820717e-10 4.63756e-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" [ 0.584512 0.865571 1.09704 1.30196 1.49442 1.67824 1.84852 2.00061 2.13419 2.25138 2.3547 2.44629 2.52785 2.60064 2.66555 2.72312 2.77366 2.81724 2.85387 2.88355 2.90634 2.92236 2.93179 2.93487 2.93338 2.92846 2.91935 2.90508 2.88443 2.85583 2.81722 2.76587 2.69809 2.60882 2.49092 2.33413 2.12271 1.82938 1.40701 0.765595 -0.289247 -2.26051 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.364914609770497e-20 1.3867976198424769e-19 1.757651840082432e-19 2.085969873216768e-19 2.3943247856559363e-19 2.688836892091392e-19 2.961655527081216e-19 3.205330569338688e-19 3.419349322345152e-19 3.6071084005367045e-19 3.77264528899776e-19 3.919388645696832e-19 4.05006217088928e-19 4.166684607117312e-19 4.2706818915734404e-19 4.362919199632897e-19 4.443893206048128e-19 4.513716063182593e-19 4.572403792802497e-19 4.61995639490784e-19 4.656470000095872e-19 4.682136869561088e-19 4.697245395095232e-19 4.702180099087297e-19 4.699792855922304e-19 4.691910146947968e-19 4.677314317932481e-19 4.6544512575536645e-19 4.621366310334144e-19 4.575544058979265e-19 4.513684019650176e-19 4.431412250172096e-19 4.3228167188142723e-19 4.1797904118754563e-19 3.990893788283136e-19 3.739688515907904e-19 3.4009563347383685e-19 2.930989866559104e-19 2.254278527231808e-19 1.226618410001376e-19 -4.6342478103653757e-20 -3.621736273084608e-19 ] } }