{ "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" [ "Si" "Si" ] } "a" { "source-value" [ 4.56618 4.260229 4.070613 3.932847 3.824579 3.735379 3.659525 3.593539 3.535145 3.482777 3.435305 3.391893 3.351899 3.314825 3.280274 3.247923 3.217509 3.188814 3.161653 3.13587 3.111333 3.087927 3.065551 3.04412 3.02953 3.014175 2.997969 2.980814 2.962591 2.943157 2.922342 2.899932 2.875665 2.849202 2.820108 2.7878 2.75148 2.710007 2.661675 2.603755 2.53148 2.4353 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.56618e-10 4.260229e-10 4.070613e-10 3.932847e-10 3.824579e-10 3.7353790000000004e-10 3.659525e-10 3.593539e-10 3.535145e-10 3.482777e-10 3.435305e-10 3.3918930000000003e-10 3.3518990000000003e-10 3.314825e-10 3.280274e-10 3.2479230000000003e-10 3.2175090000000003e-10 3.1888139999999997e-10 3.161653e-10 3.13587e-10 3.111333e-10 3.087927e-10 3.065551e-10 3.04412e-10 3.02953e-10 3.014175e-10 2.997969e-10 2.980814e-10 2.9625910000000004e-10 2.943157e-10 2.9223420000000003e-10 2.8999320000000004e-10 2.8756650000000004e-10 2.849202e-10 2.820108e-10 2.7878e-10 2.75148e-10 2.710007e-10 2.661675e-10 2.603755e-10 2.5314800000000003e-10 2.4353e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0.116933 0.694233 1.46819 2.21192 2.83028 3.30309 3.64223 3.87028 4.01097 4.08505 4.11021 4.11943 4.12244 4.12098 4.11617 4.10723 4.09318 4.07277 4.03102 3.93872 3.78741 3.57332 3.29472 2.94707 2.51784 1.98562 1.32837 0.532733 -0.602366 -2.42224 -5.71703 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.873473188000064e-20 1.1122838819878463e-19 2.352299692892352e-19 3.5438865110799365e-19 4.534608446317824e-19 5.292133574398273e-19 5.835495753576385e-19 6.200872131949825e-19 6.426282360730177e-19 6.54497160479904e-19 6.585282368578369e-19 6.600054437022145e-19 6.604876988650753e-19 6.602537810784385e-19 6.594831341238337e-19 6.580507882248385e-19 6.557997300726145e-19 6.525296875895617e-19 6.458406001977216e-19 6.310525099877376e-19 6.068099755384128e-19 5.725089762637056e-19 5.278723356082176e-19 4.721726653861056e-19 4.0340243829150725e-19 3.1813139417928963e-19 2.1282833577720963e-19 8.535323577286464e-20 -9.650967223648128e-20 -3.880856297966592e-19 -9.159691806412226e-19 ] } }