{ "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" [ "Po" "Po" "Po" "Po" "Po" "Po" "Po" "Po" ] } "a" { "source-value" [ 9.33975 8.713952 8.326108 8.044318 7.822866 7.640414 7.485261 7.350291 7.230852 7.123737 7.026638 6.937841 6.856037 6.780206 6.709533 6.643362 6.581154 6.522459 6.466904 6.414168 6.363979 6.316103 6.270336 6.2265 6.196657 6.165249 6.132102 6.097012 6.059737 6.019988 5.977411 5.931574 5.881936 5.827808 5.768298 5.702214 5.627924 5.543095 5.444235 5.325764 5.177929 4.9812 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.339750000000002e-10 8.713952000000001e-10 8.326108e-10 8.044318e-10 7.822866e-10 7.640414e-10 7.485261000000001e-10 7.350291e-10 7.230852e-10 7.123737e-10 7.026638e-10 6.937841e-10 6.856037e-10 6.780206e-10 6.709533000000001e-10 6.643362e-10 6.581154e-10 6.522458999999999e-10 6.466904000000001e-10 6.414168000000001e-10 6.363978999999999e-10 6.316103e-10 6.270336000000001e-10 6.2265e-10 6.196657000000001e-10 6.165249000000001e-10 6.132102e-10 6.097012e-10 6.059737000000001e-10 6.019988e-10 5.977411e-10 5.931574e-10 5.881936e-10 5.827808000000001e-10 5.768298e-10 5.702214e-10 5.627924e-10 5.543095000000001e-10 5.444235e-10 5.325764e-10 5.177929e-10 4.9812e-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" [ 0.950377 1.42456 1.84131 2.22327 2.58029 2.91474 3.23024 3.52682 3.8054 4.06655 4.31084 4.53876 4.74968 4.94351 5.12084 5.28137 5.42419 5.549 5.65548 5.74329 5.81205 5.86139 5.89177 5.90203 5.89687 5.87949 5.8464 5.793 5.71339 5.59904 5.43816 5.21432 4.90373 4.47104 3.86202 2.99057 1.71158 -0.231342 -3.33234 -8.64631 -18.774 -41.8384 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5226718103460417e-19 2.2823967269268483e-19 2.9501038336452484e-19 3.562071215726016e-19 4.1340803128840326e-19 4.669928283710593e-19 5.1754150075729915e-19 5.650588549769856e-19 6.09692291279232e-19 6.515331337314241e-19 6.906727064009472e-19 7.271895159422208e-19 7.609826252281344e-19 7.920376146691008e-19 8.204490126857473e-19 8.461687539794497e-19 8.690510404777152e-19 8.890478068819201e-19 9.061077835401984e-19 9.201764964474433e-19 9.31193062892064e-19 9.390982023390914e-19 9.439656149130817e-19 9.456094481260224e-19 9.447827249896895e-19 9.419981420227392e-19 9.366965395845121e-19 9.281409164294401e-19 9.153859883512514e-19 8.970650986924032e-19 8.712892812169728e-19 8.354261597369856e-19 7.856641560715585e-19 7.163395758661633e-19 6.187638153062016e-19 4.791421336865856e-19 2.7422534606288644e-19 -3.706507438091136e-20 -5.338997240556672e-19 -1.3852915738189249e-18 -3.00792638788992e-18 -6.703250633167873e-18 ] } }