{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 8.40574 7.842525 7.493467 7.239858 7.040551 6.876346 6.736709 6.615236 6.507742 6.411339 6.32395 6.244033 6.17041 6.102162 6.038558 5.979004 5.923017 5.870192 5.820192 5.77273 5.727561 5.684473 5.643282 5.60383 5.576972 5.548704 5.518872 5.487291 5.453744 5.417969 5.37965 5.338397 5.293722 5.245007 5.191448 5.131973 5.065112 4.988765 4.899791 4.793168 4.660116 4.48306 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.405740000000001e-10 7.842525e-10 7.493467e-10 7.239858e-10 7.040551e-10 6.876346000000001e-10 6.736709000000001e-10 6.615236e-10 6.507742e-10 6.411339e-10 6.323950000000001e-10 6.244033000000001e-10 6.170410000000001e-10 6.102162e-10 6.038558e-10 5.979004e-10 5.923017e-10 5.870192000000001e-10 5.820192e-10 5.77273e-10 5.727561e-10 5.684473e-10 5.643282e-10 5.60383e-10 5.576972e-10 5.548704e-10 5.518872e-10 5.487291e-10 5.453744e-10 5.417969000000001e-10 5.37965e-10 5.338397e-10 5.293722e-10 5.245007e-10 5.191448e-10 5.131973e-10 5.065112e-10 4.988765e-10 4.899791e-10 4.793168e-10 4.660116e-10 4.4830600000000004e-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" [ 0.639259 0.958211 1.23853 1.49545 1.7356 1.96056 2.17278 2.37227 2.55965 2.7353 2.89963 3.05293 3.1948 3.32518 3.44446 3.55244 3.6485 3.73245 3.80408 3.86314 3.90939 3.94258 3.96301 3.96991 3.96644 3.95475 3.93249 3.89657 3.84303 3.76611 3.6579 3.50733 3.29841 3.00737 2.59771 2.01155 1.15125 -0.15566 -2.24153 -5.81591 -12.6283 -28.1424 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0242058244359873e-19 1.535223261993389e-19 1.984343810159424e-19 2.3959750275753602e-19 2.78073774306048e-19 3.141163395675648e-19 3.481177318141824e-19 3.800795532225216e-19 4.10101138743072e-19 4.38243371087424e-19 4.645719394970304e-19 4.891333070938944e-19 5.11863386813184e-19 5.327525655951745e-19 5.518633283280768e-19 5.691636314794752e-19 5.8455414009888e-19 5.980044128304961e-19 6.094808039652865e-19 6.189432590877313e-19 6.263533259589312e-19 6.316709501633664e-19 6.349441969996609e-19 6.360496988680128e-19 6.3549374358059525e-19 6.3362079911088e-19 6.300543539529792e-19 6.242993355310657e-19 6.157212819033025e-19 6.033973393361088e-19 5.860601861224321e-19 5.619362127430464e-19 5.284635387812929e-19 4.818337904095296e-19 4.1619902296183684e-19 3.2228583815702403e-19 1.8445058346960003e-19 -2.49394812793728e-20 -3.591326960821824e-19 -9.318115030676928e-19 -2.023276702044864e-18 -4.508909533320192e-18 ] } }