{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.33508 4.97761 4.756064 4.5951 4.468601 4.36438 4.275753 4.198655 4.130429 4.069242 4.013777 3.963054 3.916326 3.873009 3.83264 3.794841 3.759306 3.725779 3.694044 3.66392 3.635251 3.607904 3.58176 3.55672 3.531405 3.505318 3.478411 3.450629 3.421914 3.392202 3.361419 3.329488 3.296318 3.261809 3.225849 3.18831 3.149048 3.107895 3.064663 3.019127 2.971031 2.920067 2.865872 2.80801 2.745947 2.679025 2.606418 2.52707 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.335079999999999e-10 4.977610000000001e-10 4.756064000000001e-10 4.5951000000000005e-10 4.468601e-10 4.36438e-10 4.275753e-10 4.198655e-10 4.1304290000000005e-10 4.069242e-10 4.013777e-10 3.9630540000000003e-10 3.916326e-10 3.873009e-10 3.83264e-10 3.794841e-10 3.759306e-10 3.725779e-10 3.694044e-10 3.6639200000000003e-10 3.6352509999999997e-10 3.6079040000000003e-10 3.58176e-10 3.55672e-10 3.531405e-10 3.505318e-10 3.478411e-10 3.4506290000000004e-10 3.421914e-10 3.392202e-10 3.3614190000000003e-10 3.329488e-10 3.296318e-10 3.2618090000000003e-10 3.2258490000000005e-10 3.1883100000000003e-10 3.149048e-10 3.107895e-10 3.064663e-10 3.0191270000000003e-10 2.971031e-10 2.920067e-10 2.8658720000000003e-10 2.80801e-10 2.7459470000000003e-10 2.6790250000000005e-10 2.606418e-10 2.52707e-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" [ 0.0382114 0.0333608 0.0386223 0.0616647 0.764238 1.95158 3.24132 4.33662 5.23599 5.90266 6.44492 6.78448 6.94245 7.04194 7.12832 7.2027 7.26603 7.3191 7.36261 7.39716 7.42329 7.44146 7.4521 7.45557 7.45183 7.43973 7.41772 7.38399 7.33632 7.27205 7.18795 7.08007 6.94354 6.77233 6.55893 6.29385 5.96507 5.55711 5.04992 4.41708 3.62339 2.62107 1.34417 -0.963581 -33.8021 -65.1813 -96.8254 -134.311 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.122141223242759e-21 5.34498942515472e-21 6.1879746611338196e-21 9.87977414826198e-21 1.224444266414892e-19 3.12677587538172e-19 5.19316716731688e-19 6.94803123453708e-19 8.38898083385766e-19 9.45710393044644e-19 1.0325900231999278e-18 1.086993532984032e-18 1.1123031172713299e-18 1.128243172602996e-18 1.142082774367488e-18 1.15399976417118e-18 1.1641463487943018e-18 1.1726491001909398e-18 1.1796201707254739e-18 1.185155690995944e-18 1.1893421785405859e-18 1.192253333484564e-18 1.19395804942314e-18 1.194514004715138e-18 1.193914790654022e-18 1.191976156926882e-18 1.188449766155448e-18 1.1830456243689658e-18 1.175408048354688e-18 1.1651108591279699e-18 1.15163655363603e-18 1.1343522721084379e-18 1.1124777545244358e-18 1.0850468883737219e-18 1.050856439004162e-18 1.00838594079009e-18 9.55709577417438e-19 8.90347179456774e-19 8.09086382756928e-19 7.07694236650872e-19 5.80531079386926e-19 4.1994171100783796e-19 2.15359776612378e-19 -1.543826963166354e-19 -5.41569348001314e-18 -1.0443195583374418e-17 -1.551313934577036e-17 -2.15189945889174e-17 ] } }