{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Zr" "Zr" ] } "a" { "source-value" [ 5.40149 5.03957 4.815266 4.652297 4.524223 4.418705 4.328975 4.250917 4.181842 4.119893 4.063737 4.012383 3.965073 3.921217 3.880345 3.842076 3.806098 3.772154 3.740024 3.709525 3.680499 3.652811 3.626342 3.60099 3.583731 3.565566 3.546396 3.526103 3.504545 3.481557 3.456933 3.430424 3.401717 3.370413 3.335996 3.297778 3.254813 3.205753 3.148579 3.080063 2.994565 2.88079 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.40149e-10 5.039570000000001e-10 4.815266e-10 4.652297e-10 4.5242230000000004e-10 4.4187050000000005e-10 4.328975e-10 4.2509170000000005e-10 4.181842e-10 4.1198930000000003e-10 4.063737e-10 4.012383e-10 3.965073e-10 3.921217e-10 3.8803450000000004e-10 3.842076e-10 3.8060980000000003e-10 3.772154e-10 3.740024e-10 3.709525e-10 3.6804990000000006e-10 3.652811e-10 3.626342e-10 3.60099e-10 3.5837310000000003e-10 3.565566e-10 3.546396e-10 3.5261030000000003e-10 3.504545e-10 3.481557e-10 3.456933e-10 3.4304240000000003e-10 3.401717e-10 3.370413e-10 3.3359960000000004e-10 3.2977780000000005e-10 3.254813e-10 3.205753e-10 3.148579e-10 3.080063e-10 2.9945650000000004e-10 2.8807900000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.61671 3.36841 3.89352 4.29549 4.61752 4.88262 5.10596 5.30143 5.46873 5.60902 5.72875 5.83147 5.91946 5.99452 6.05808 6.11135 6.15534 6.19102 6.21918 6.24082 6.25714 6.26933 6.27751 6.28046 6.27899 6.27422 6.26571 6.25296 6.23536 6.21194 6.18103 6.14019 6.08654 6.01649 5.92499 5.80455 5.64377 5.42461 5.11676 4.66549 3.96259 2.74069 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.192431585413568e-19 5.396787751268928e-19 6.238106716617216e-19 6.882133652880192e-19 7.398082590076416e-19 7.822819612250497e-19 8.180649738739968e-19 8.493827202807745e-19 8.761871351467584e-19 8.986640709599616e-19 9.178469316408e-19 9.343044898896576e-19 9.48402041976077e-19 9.604279796918017e-19 9.706114142936065e-19 9.79146209152608e-19 9.861941841075072e-19 9.919107502905216e-19 9.964224796546944e-19 9.998895898621058e-19 1.0025043421072513e-18 1.0044573954080064e-18 1.005767975883821e-18 1.0062406179869567e-18 1.0060050980236993e-18 1.0052408597755776e-18 1.0038774074712769e-18 1.001834632279757e-18 9.99014801427149e-19 9.952625037812353e-19 9.903101758463425e-19 9.837668865269951e-19 9.751712089564033e-19 9.639479617276992e-19 9.492880456473794e-19 9.29991430426464e-19 9.042316347172417e-19 8.691183318957888e-19 8.197953246244609e-19 7.474939002576193e-19 6.348769055815873e-19 4.391069442860352e-19 ] } }