{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.5608 9.853185 9.414633 9.096002 8.845596 8.63929 8.463853 8.311237 8.176183 8.055063 7.945269 7.844862 7.752363 7.666618 7.586705 7.511883 7.441541 7.375174 7.312354 7.252724 7.195974 7.141838 7.090088 7.04052 6.99041 6.938771 6.885507 6.830513 6.773672 6.714856 6.653923 6.590715 6.525054 6.456744 6.385561 6.311253 6.233533 6.152073 6.066493 5.976356 5.881149 5.780266 5.672989 5.55845 5.435596 5.303124 5.159399 5.00233 4.829183 4.636288 4.418554 4.168623 3.875293 3.52026 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0560800000000001e-09 9.853185e-10 9.414633e-10 9.096002000000001e-10 8.845596000000001e-10 8.639290000000001e-10 8.463853000000001e-10 8.311237000000001e-10 8.176183e-10 8.055063000000001e-10 7.945269e-10 7.844862000000001e-10 7.752363000000001e-10 7.666618e-10 7.586705000000001e-10 7.511883e-10 7.441541e-10 7.375174000000001e-10 7.312354e-10 7.252724e-10 7.195974e-10 7.141838e-10 7.090088e-10 7.04052e-10 6.99041e-10 6.938771e-10 6.885507e-10 6.830513e-10 6.773672e-10 6.714856000000001e-10 6.653923e-10 6.590715e-10 6.525054e-10 6.456744e-10 6.385561e-10 6.311253e-10 6.233533e-10 6.152073e-10 6.066493000000001e-10 5.976356000000001e-10 5.881149e-10 5.780266000000001e-10 5.672989000000001e-10 5.55845e-10 5.435596e-10 5.303124e-10 5.159398999999999e-10 5.00233e-10 4.829183e-10 4.6362880000000006e-10 4.4185540000000005e-10 4.1686230000000006e-10 3.8752930000000004e-10 3.52026e-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" [ 0.357382 0.427961 0.495337 0.551948 0.588496 0.613649 0.636416 0.656867 0.674691 0.691189 0.706773 0.721245 0.734338 0.745977 0.756312 0.765637 0.774276 0.78242 0.790063 0.797004 0.802819 0.807053 0.809542 0.810341 0.809522 0.806988 0.802643 0.796394 0.78806 0.777343 0.763921 0.747531 0.728013 0.705314 0.679423 0.650256 0.617458 0.580105 0.536219 0.481636 0.416107 0.340487 0.260299 0.183956 0.114718 0.0394345 -0.0672607 -0.228835 -0.441913 -0.775526 -1.49818 -3.30448 -7.90449 -21.3308 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.725890898121879e-20 6.856691144632739e-20 7.93617367355658e-20 8.84318188783032e-20 9.42874540402464e-20 9.831740892774659e-20 1.019650844703744e-19 1.0524169590456778e-19 1.080974155370094e-19 1.107406865477826e-19 1.132375186142082e-19 1.15556188638933e-19 1.176539185058292e-19 1.195186918901418e-19 1.211745414413808e-19 1.226685711525858e-19 1.2405269154669839e-19 1.25357504197428e-19 1.265820477987942e-19 1.276941186004536e-19 1.286257843131246e-19 1.293041458999602e-19 1.2970292766416278e-19 1.298309415772194e-19 1.296997233108948e-19 1.292937317518392e-19 1.285975860043662e-19 1.275963858257796e-19 1.2626113181900398e-19 1.2454407912034618e-19 1.223936376421914e-19 1.1976767013906537e-19 1.166405417848242e-19 1.130037610433076e-19 1.088555655202182e-19 1.0418249693183039e-19 9.892767800763718e-20 9.294306762665699e-20 8.59117552506846e-20 7.71665945293224e-20 6.66676912643838e-20 5.45520315580758e-20 4.17044975653566e-20 2.94730004884104e-20 1.8379849909921198e-20 6.318103447347299e-21 -1.077635219264838e-20 -3.6663409004139e-20 -7.080226828608419e-20 -1.242529636259484e-19 -2.40034898952612e-19 -5.29436064352032e-19 -1.266438918168666e-18 -3.4175709344527197e-18 ] } }