{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14409 7.598405 7.260212 7.014496 6.821393 6.662298 6.527008 6.409316 6.305168 6.211765 6.127096 6.049667 5.978335 5.912212 5.850587 5.792887 5.738642 5.687462 5.639018 5.593033 5.54927 5.507523 5.467615 5.42939 5.390747 5.350925 5.30985 5.26744 5.223606 5.17825 5.13126 5.082516 5.031881 4.979203 4.924309 4.867005 4.80707 4.744251 4.678255 4.608745 4.535324 4.457527 4.374798 4.28647 4.19173 4.089572 3.978736 3.85761 3.724085 3.575332 3.407422 3.214684 2.988479 2.71469 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.144090000000001e-10 7.598405e-10 7.260212e-10 7.014496000000001e-10 6.821393e-10 6.662298e-10 6.527008000000001e-10 6.409316e-10 6.305168e-10 6.211765e-10 6.127096e-10 6.049667e-10 5.978335000000001e-10 5.912212e-10 5.850587e-10 5.792887000000001e-10 5.738642e-10 5.687462000000001e-10 5.639018e-10 5.593033e-10 5.54927e-10 5.507523e-10 5.467615e-10 5.42939e-10 5.390747e-10 5.350925e-10 5.30985e-10 5.26744e-10 5.223606e-10 5.17825e-10 5.13126e-10 5.082516000000001e-10 5.031881e-10 4.979203000000001e-10 4.924309e-10 4.867005e-10 4.807070000000001e-10 4.744251000000001e-10 4.678255e-10 4.608745e-10 4.535324e-10 4.457527e-10 4.374798e-10 4.28647e-10 4.19173e-10 4.0895720000000004e-10 3.978736e-10 3.8576100000000003e-10 3.7240850000000005e-10 3.575332e-10 3.407422e-10 3.2146840000000004e-10 2.988479e-10 2.7146900000000004e-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 0 0 0.0141508 0.800957 2.01653 2.99383 3.55629 3.76289 3.89914 4.01875 4.12368 4.21549 4.29549 4.36476 4.42425 4.47473 4.51689 4.55134 4.5786 4.59913 4.61336 4.62165 4.62435 4.62146 4.61214 4.59527 4.56955 4.5334 4.48496 4.422 4.3418 4.24111 4.11593 3.96136 3.77136 3.53838 3.25295 2.90306 2.47332 1.94374 1.28813 0.471564 -0.770897 -5.36395 -11.42 -17.3591 -22.6444 -28.7492 -39.3999 -59.2694 -82.7888 -120.232 -198.658 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 2.2672081112407197e-21 1.283274590238738e-19 3.2308372477600194e-19 4.79664447216822e-19 5.69780474172786e-19 6.02881443431226e-19 6.24711100069476e-19 6.438747347887499e-19 6.6068637420931195e-19 6.75395957886066e-19 6.88213370958066e-19 6.993116485017841e-19 7.088429972974499e-19 7.16930784945882e-19 7.236855616348259e-19 7.292050601389559e-19 7.3357259364324e-19 7.368618622728419e-19 7.39141759623024e-19 7.404699640526099e-19 7.409025517437899e-19 7.404395226965639e-19 7.389462940736759e-19 7.36243422092118e-19 7.321226237894699e-19 7.2633075525756e-19 7.18569811642464e-19 7.084825075547999e-19 6.9563305095011995e-19 6.79500734422374e-19 6.594446873179619e-19 6.34679843086224e-19 6.04238487040224e-19 5.66910975821292e-19 5.211800481570299e-19 4.651214899100039e-19 3.96269551240488e-19 3.11421481057116e-19 2.0638117875544198e-19 7.55528822235576e-20 -1.235113160620698e-19 -8.5939953559443e-19 -1.8296857160279998e-18 -2.7812344407269402e-18 -3.62803285709496e-18 -4.606129648619279e-18 -6.31255991619366e-18 -9.496004779119959e-18 -1.3264228091689919e-17 -1.9263290105908798e-17 -3.1828520575717196e-17 ] } }