{ "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" [ "Mg" "Mg" ] } "a" { "source-value" [ 5.29751 4.942557 4.722571 4.562739 4.437131 4.333644 4.245641 4.169086 4.10134 4.040584 3.985509 3.935143 3.888744 3.845733 3.805647 3.768115 3.73283 3.699539 3.668027 3.638116 3.609649 3.582493 3.556534 3.53167 3.514743 3.496929 3.478128 3.458225 3.437083 3.414537 3.390388 3.364389 3.336234 3.305533 3.271779 3.234297 3.19216 3.144045 3.087972 3.020776 2.936924 2.82534 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.29751e-10 4.942557e-10 4.722571000000001e-10 4.5627389999999997e-10 4.437131e-10 4.333644e-10 4.245641e-10 4.1690860000000003e-10 4.1013400000000004e-10 4.040584e-10 3.985509e-10 3.935143e-10 3.8887440000000003e-10 3.845733e-10 3.8056470000000003e-10 3.768115e-10 3.73283e-10 3.699539e-10 3.668027e-10 3.638116e-10 3.609649e-10 3.582493e-10 3.556534e-10 3.53167e-10 3.5147430000000005e-10 3.4969290000000005e-10 3.478128e-10 3.458225e-10 3.437083e-10 3.4145370000000004e-10 3.3903880000000003e-10 3.3643890000000004e-10 3.3362340000000003e-10 3.3055330000000003e-10 3.271779e-10 3.2342970000000005e-10 3.19216e-10 3.144045e-10 3.0879720000000005e-10 3.020776e-10 2.936924e-10 2.8253400000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.16118 0.240573 0.334524 0.392808 0.435899 0.47862 0.521789 0.561216 0.594543 0.622663 0.646151 0.665995 0.683339 0.698955 0.713185 0.847577 0.944699 1.00809 1.04895 1.07459 1.08981 1.09796 1.10162 1.10258 1.10218 1.10099 1.09894 1.09575 1.09103 1.08438 1.07521 1.06237 1.04412 1.01784 0.979946 0.926372 0.850988 0.744149 0.589792 0.353302 -0.0209021 -0.749933 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.58238827740544e-20 3.8544043619571844e-20 5.359665318964992e-20 6.293477940632065e-20 6.983871868300992e-20 7.668337742472961e-20 8.359981367906111e-20 8.99167154418893e-20 9.525628946602946e-20 9.976161012371904e-20 1.035248025706541e-19 1.067041618569696e-19 1.0948297698808513e-19 1.119849359991264e-19 1.142648333305248e-19 1.3579680537278017e-19 1.5135746514931393e-19 1.615138229662272e-19 1.6806031663881603e-19 1.721682974945472e-19 1.746068103114048e-19 1.7591258425735682e-19 1.764989809005696e-19 1.766527898561664e-19 1.765887027913344e-19 1.763980437734592e-19 1.7606959756619522e-19 1.7555850322416e-19 1.748022758591424e-19 1.737368284063104e-19 1.7226763244503681e-19 1.7021043766392962e-19 1.672864653309696e-19 1.6307594517150722e-19 1.5700465708464768e-19 1.4842115605637376e-19 1.3634330781813505e-19 1.1922581301916992e-19 9.449509535348737e-20 5.660522044818817e-20 -3.348885594562368e-21 -1.2015251197664065e-19 ] } }