{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.84038 4.516057 4.315054 4.169015 4.054246 3.959689 3.87928 3.809331 3.747432 3.691918 3.641596 3.595576 3.553181 3.513881 3.477255 3.442961 3.410721 3.380303 3.351511 3.32418 3.29817 3.273358 3.249638 3.22692 3.211454 3.195177 3.177998 3.159813 3.140495 3.119895 3.097829 3.074074 3.048349 3.020297 2.989455 2.955208 2.916706 2.872743 2.821509 2.760111 2.683495 2.58154 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.84038e-10 4.5160570000000003e-10 4.315054e-10 4.169015e-10 4.054246e-10 3.9596890000000004e-10 3.87928e-10 3.809331e-10 3.747432e-10 3.691918e-10 3.641596e-10 3.595576e-10 3.553181e-10 3.5138810000000003e-10 3.477255e-10 3.442961e-10 3.4107210000000004e-10 3.380303e-10 3.351511e-10 3.32418e-10 3.29817e-10 3.2733580000000004e-10 3.249638e-10 3.22692e-10 3.211454e-10 3.1951770000000004e-10 3.177998e-10 3.1598130000000003e-10 3.140495e-10 3.119895e-10 3.097829e-10 3.074074e-10 3.0483490000000003e-10 3.020297e-10 2.989455e-10 2.955208e-10 2.916706e-10 2.872743e-10 2.821509e-10 2.7601110000000005e-10 2.683495e-10 2.58154e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.51687 1.77164 1.97674 2.14907 2.37297 2.50311 2.61183 2.70704 2.79071 2.86433 2.92906 2.98586 3.03549 3.07859 3.1157 3.14729 3.17375 3.19543 3.21263 3.22563 3.23467 3.23995 3.24167 3.24084 3.2381 3.23302 3.22506 3.21351 3.19745 3.17569 3.14659 3.10795 3.05666 2.98827 2.89616 2.77011 2.59356 2.33791 1.9495 1.31516 0.14996 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.430293650792896e-19 2.8384801884741125e-19 3.167086613400192e-19 3.443189710462656e-19 3.8019170558597763e-19 4.010424321290688e-19 4.184612963504064e-19 4.337156199570433e-19 4.471210317432768e-19 4.589162560256064e-19 4.692871452920449e-19 4.783875084981888e-19 4.863391110672192e-19 4.932444923028672e-19 4.99190169742656e-19 5.042514456877632e-19 5.084908050264e-19 5.119643239402944e-19 5.147200677280704e-19 5.168028973351104e-19 5.182512650003136e-19 5.19097214256096e-19 5.193727886348737e-19 5.192398079753472e-19 5.188008115812481e-19 5.179869058578816e-19 5.167115732677248e-19 5.148610592707008e-19 5.12287963617696e-19 5.088016272908352e-19 5.041392933243072e-19 4.97948482861536e-19 4.897309189734529e-19 4.787736330638016e-19 4.640159842096129e-19 4.438205479044288e-19 4.1553411966420485e-19 3.7457447435345283e-19 3.1234433222496003e-19 2.1071186046113284e-19 2.4026240605516803e-20 ] } }