{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.1441 7.598415 7.260222 7.014506 6.821403 6.662308 6.527018 6.409326 6.305178 6.211775 6.127106 6.049677 5.978345 5.912222 5.850597 5.792897 5.738652 5.687472 5.639028 5.593043 5.54928 5.507533 5.467625 5.4294 5.390757 5.350935 5.30986 5.26745 5.223616 5.17826 5.13127 5.082526 5.031891 4.979213 4.924319 4.867015 4.80708 4.744261 4.678265 4.608755 4.535334 4.457537 4.374808 4.28648 4.19174 4.089582 3.978746 3.85762 3.724095 3.575342 3.407432 3.214694 2.988489 2.7147 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1441e-10 7.598415e-10 7.260222e-10 7.014506e-10 6.821403000000001e-10 6.662308e-10 6.527018e-10 6.409326000000001e-10 6.305178e-10 6.211775e-10 6.127106e-10 6.049677e-10 5.978345e-10 5.912222e-10 5.850597e-10 5.792897e-10 5.738652e-10 5.687472e-10 5.639027999999999e-10 5.593042999999999e-10 5.54928e-10 5.507533e-10 5.467625000000001e-10 5.429400000000001e-10 5.390757e-10 5.350935e-10 5.30986e-10 5.26745e-10 5.223616e-10 5.17826e-10 5.13127e-10 5.082526e-10 5.031891e-10 4.979213e-10 4.924319e-10 4.867015e-10 4.80708e-10 4.744261e-10 4.678264999999999e-10 4.608755000000001e-10 4.535334e-10 4.4575370000000003e-10 4.374808e-10 4.28648e-10 4.1917400000000005e-10 4.089582e-10 3.978746e-10 3.85762e-10 3.724095e-10 3.575342e-10 3.407432e-10 3.2146940000000004e-10 2.988489e-10 2.7147000000000005e-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" [ 0.00576446 0.376934 1.01906 1.62092 2.13031 2.55375 2.90605 3.20073 3.44856 3.65794 3.83538 3.98595 4.11371 4.22187 4.31304 4.38939 4.45266 4.50436 4.54573 4.57784 4.60158 4.61775 4.62703 4.63 4.62688 4.61694 4.59923 4.57265 4.53588 4.48741 4.42546 4.34826 4.25463 4.14345 4.0101 3.84054 3.60425 3.24601 2.67499 1.74917 0.253686 -2.12861 -5.85606 -11.5838 -20.3772 -34.5139 -58.8171 -102.277 -180.331 -318.227 -559.254 -1004.47 -1960.56 -4572.55 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.23568311962764e-22 6.039148473601559e-20 1.63271412064404e-19 2.5970001495832796e-19 3.41313290517654e-19 4.0915585790774997e-19 4.6560054072357e-19 5.12813481774282e-19 5.525202252947039e-19 5.86066599657396e-19 6.144956218510919e-19 6.386195954292299e-19 6.5908900410521395e-19 6.7641814657855795e-19 6.910251909507359e-19 7.032578095513259e-19 7.133947811146439e-19 7.21678034312424e-19 7.283062390472819e-19 7.33450828219056e-19 7.37254395548172e-19 7.3984511516535e-19 7.41331935081702e-19 7.418077815419999e-19 7.413079024321919e-19 7.397153388579959e-19 7.368778840391821e-19 7.3261929854601005e-19 7.267280950627919e-19 7.189623449177939e-19 7.090368606701639e-19 6.966680570556839e-19 6.816668772315419e-19 6.638538774147299e-19 6.424888520003401e-19 6.153223449942359e-19 5.774645133094499e-19 5.20068137573034e-19 4.2858064741836603e-19 2.8024793028937795e-19 4.0644978157292403e-20 -3.41040920489874e-19 -9.38244249930204e-19 -1.85592936929292e-18 -3.2647873706344795e-18 -5.5297364128212594e-18 -9.423538329964139e-18 -1.63865819595618e-17 -2.8892211458585395e-17 -5.098558637079179e-17 -8.96023691271036e-17 -1.60933836355398e-16 -3.14116342155504e-16 -7.3260327677967e-16 ] } }