{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.78344 9.127913 8.721643 8.426467 8.194494 8.003374 7.84085 7.699468 7.574356 7.462152 7.360439 7.267424 7.181734 7.1023 7.02827 6.958956 6.893792 6.83231 6.774115 6.718873 6.666301 6.61615 6.568209 6.52229 6.49103 6.458129 6.423407 6.386651 6.347605 6.305967 6.261368 6.213353 6.161357 6.104658 6.04232 5.973097 5.895278 5.806418 5.702862 5.578763 5.423905 5.21783 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.783440000000002e-10 9.127913e-10 8.721643e-10 8.426467000000001e-10 8.194494000000001e-10 8.003374000000002e-10 7.84085e-10 7.699468e-10 7.574356e-10 7.462152e-10 7.360439000000001e-10 7.267424000000001e-10 7.181734e-10 7.1023e-10 7.02827e-10 6.958956e-10 6.893792000000001e-10 6.83231e-10 6.774115e-10 6.718873e-10 6.666301e-10 6.61615e-10 6.568209000000001e-10 6.52229e-10 6.491030000000001e-10 6.458129e-10 6.423407e-10 6.386651e-10 6.347605e-10 6.305967000000001e-10 6.261368e-10 6.213353e-10 6.161357e-10 6.104658e-10 6.04232e-10 5.973097e-10 5.895278000000001e-10 5.806418e-10 5.702862e-10 5.578763000000001e-10 5.423905000000001e-10 5.217830000000001e-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" [ 1.10195 1.62117 2.08211 2.45571 2.76719 3.04013 3.28662 3.51113 3.71338 3.89262 4.04973 4.18674 4.30585 4.40925 4.49812 4.57393 4.6378 4.69068 4.73346 4.76695 4.79188 4.80893 4.81872 4.82215 4.82064 4.81571 4.80667 4.79264 4.77256 4.74507 4.70845 4.66055 4.59867 4.51925 4.41667 4.28247 4.10367 3.85987 3.51474 2.99976 2.17522 0.698459 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.76551852729056e-19 2.597400672342336e-19 3.3359079639338885e-19 3.934481149464768e-19 4.433527123311552e-19 4.870825210192704e-19 5.265745725453696e-19 5.625450398589505e-19 5.949490620146304e-19 6.236664757658496e-19 6.488382726552384e-19 6.707896945368193e-19 6.898732202671681e-19 7.064397265262401e-19 7.206782701552897e-19 7.328243711175745e-19 7.430574731946241e-19 7.515297831654145e-19 7.583838947491968e-19 7.63749584252256e-19 7.677438105679104e-19 7.704755217063745e-19 7.720440526181376e-19 7.72593599199072e-19 7.723516705293313e-19 7.715617974552769e-19 7.701134297900738e-19 7.678655759910911e-19 7.646484053365249e-19 7.602440218059456e-19 7.54376851020576e-19 7.46702425006944e-19 7.3678815607743365e-19 7.240636693550401e-19 7.076285415788736e-19 6.861273313277376e-19 6.574804133478336e-19 6.184193473327296e-19 5.631234256190592e-19 4.806145340011008e-19 3.4850866290965763e-19 1.1190546803873473e-19 ] } }