{ "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 1.8734732034352198e-20 1.112283891151722e-19 2.35229971227246e-19 3.54388654027728e-19 4.53460848367752e-19 5.29213361799906e-19 5.83549580165382e-19 6.20087218303752e-19 6.42628241367498e-19 6.544971658721699e-19 6.58528242283314e-19 6.60005449139862e-19 6.604877043066959e-19 6.60253786518132e-19 6.59483139557178e-19 6.58050793646382e-19 6.55799735475612e-19 6.52529692965618e-19 6.45840605518668e-19 6.31052515186848e-19 6.06809980537794e-19 5.72508980980488e-19 5.278723399572479e-19 4.72172669276238e-19 4.03402441615056e-19 3.1813139680030796e-19 2.12828337530658e-19 8.53532364760722e-20 -9.650967303160438e-20 -3.88085632994016e-19 -9.15969188187702e-19 ] } }