{ "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" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" ] } "a" { "source-value" [ 11.8637 11.068792 10.576139 10.218201 9.936905 9.705149 9.508068 9.336625 9.184911 9.048849 8.92551 8.812718 8.708808 8.612485 8.522714 8.438662 8.359642 8.285087 8.214519 8.147532 8.083781 8.022967 7.964832 7.90915 7.871243 7.831347 7.789242 7.744669 7.697322 7.64683 7.592747 7.534523 7.471471 7.402716 7.327123 7.243181 7.148815 7.041061 6.915485 6.764999 6.577213 6.32732 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1863700000000001e-09 1.1068792e-09 1.0576139e-09 1.0218201000000001e-09 9.936905e-10 9.705149000000001e-10 9.508068e-10 9.336625e-10 9.184911e-10 9.048849000000001e-10 8.92551e-10 8.812718000000001e-10 8.708807999999999e-10 8.612484999999999e-10 8.522714000000001e-10 8.438662000000001e-10 8.359642e-10 8.285087000000001e-10 8.214519e-10 8.147532e-10 8.083781000000001e-10 8.022967e-10 7.964832000000001e-10 7.909150000000001e-10 7.871243e-10 7.831347e-10 7.789242e-10 7.744669000000001e-10 7.697322e-10 7.64683e-10 7.592747000000001e-10 7.534523e-10 7.471471000000001e-10 7.402716e-10 7.327123000000001e-10 7.243181000000001e-10 7.148815e-10 7.041061000000001e-10 6.915485000000001e-10 6.764999000000001e-10 6.577213000000001e-10 6.327320000000001e-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" [ 1.11516 1.37759 1.55761 1.69378 1.80182 1.88995 1.96311 2.0245 2.07638 2.12037 2.15771 2.18935 2.21604 2.23841 2.25696 2.30794 2.34371 2.35717 2.36803 2.37653 2.38288 2.38723 2.38975 2.39056 2.39017 2.38891 2.38658 2.38297 2.37778 2.37064 2.36107 2.34843 2.33188 2.31023 2.28183 2.24428 2.27197 2.21182 2.12428 1.99346 1.78507 1.4163 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7866832951714398e-19 2.20714250923206e-19 2.4955663468847397e-19 2.71373473913652e-19 2.88683390267388e-19 3.0280337294283e-19 3.1452489719717397e-19 3.243606595533e-19 3.32672751930492e-19 3.3972072694345796e-19 3.4570325449481395e-19 3.5077254136479e-19 3.55048750800936e-19 3.58632819931194e-19 3.6160485758726393e-19 3.6977275406739597e-19 3.75503739887214e-19 3.7766026963657797e-19 3.79400233461102e-19 3.8076208360000194e-19 3.81779465762592e-19 3.82476412598382e-19 3.8288016111014995e-19 3.8300993741750396e-19 3.8294745252877794e-19 3.82745578272894e-19 3.82372271117172e-19 3.8179388535229794e-19 3.80962355679252e-19 3.7981840156257595e-19 3.7828511852383796e-19 3.76259967258462e-19 3.73608364929192e-19 3.701396525165819e-19 3.6558947087602193e-19 3.5957329761535194e-19 3.64009724714898e-19 3.54372632261388e-19 3.40347178007352e-19 3.19387503281364e-19 2.85999744405438e-19 2.2691627667341996e-19 ] } }