{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.77763 6.323504 6.042054 5.837567 5.676864 5.544463 5.431872 5.333928 5.247254 5.169523 5.09906 5.034623 4.97526 4.920231 4.868945 4.820927 4.775784 4.733191 4.692875 4.654606 4.618185 4.583443 4.550231 4.51842 4.496764 4.473972 4.449918 4.424454 4.397405 4.36856 4.337663 4.3044 4.268379 4.2291 4.185915 4.13796 4.08405 4.022492 3.950751 3.864781 3.757501 3.61474 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.777630000000001e-10 6.323504e-10 6.042054e-10 5.837567e-10 5.676864e-10 5.544463e-10 5.431872e-10 5.333928e-10 5.247254e-10 5.169523e-10 5.09906e-10 5.034623e-10 4.97526e-10 4.920231000000001e-10 4.868945e-10 4.820927000000001e-10 4.775784e-10 4.733191e-10 4.692875e-10 4.6546060000000005e-10 4.6181850000000005e-10 4.583443e-10 4.5502310000000005e-10 4.51842e-10 4.496764e-10 4.473972e-10 4.4499180000000004e-10 4.424454e-10 4.3974050000000003e-10 4.3685600000000005e-10 4.337663e-10 4.3044e-10 4.2683790000000005e-10 4.2291e-10 4.1859149999999996e-10 4.1379599999999997e-10 4.0840500000000005e-10 4.022492e-10 3.950751e-10 3.864781e-10 3.757501e-10 3.61474e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.372722 0.539875 0.67452 0.787695 0.884957 0.969659 1.04406 1.10975 1.16792 1.21951 1.26523 1.30568 1.34135 1.37264 1.39992 1.42349 1.4436 1.46048 1.47434 1.48536 1.49369 1.49949 1.50288 1.50399 1.50345 1.50169 1.49842 1.49329 1.48584 1.47548 1.46144 1.44266 1.41772 1.38462 1.3405 1.28109 1.19984 1.08614 0.921741 0.672508 0.266805 -0.47459 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.97166479377748e-20 8.649751102807499e-20 1.0807001831656799e-19 1.26202652371863e-19 1.417857427494738e-19 1.553564992747806e-19 1.67276853649404e-19 1.7780155195815e-19 1.8712141343812799e-19 1.95387042692934e-19 2.02712194263582e-19 2.0919299874811199e-19 2.1490796280158998e-19 2.19921173489376e-19 2.24291911346928e-19 2.2806824167326597e-19 2.3129021888424e-19 2.33994693042432e-19 2.36215309857156e-19 2.37980908507824e-19 2.39315521643946e-19 2.40244784091666e-19 2.40787921970592e-19 2.40965763576966e-19 2.4087924603873e-19 2.40597262951146e-19 2.40073351191828e-19 2.3925143457858597e-19 2.38057812986256e-19 2.36397957993432e-19 2.34148501999296e-19 2.31139614280644e-19 2.27143785755448e-19 2.21840581096908e-19 2.147717777877e-19 2.05253246405106e-19 1.9223556125385599e-19 1.7401881292527601e-19 1.476791892799794e-19 1.077476603778072e-19 4.2746873683437e-20 -7.603770087300599e-20 ] } }