{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.06595 8.458499 8.082024 7.808496 7.593536 7.416433 7.265828 7.134815 7.018878 6.914903 6.82065 6.734456 6.655051 6.581443 6.512842 6.448611 6.388226 6.331253 6.277326 6.226136 6.177419 6.130947 6.086521 6.04397 6.000953 5.956623 5.910898 5.863688 5.814893 5.764402 5.712093 5.657832 5.601465 5.542824 5.481716 5.417926 5.351207 5.281277 5.207811 5.130432 5.0487 4.962097 4.870004 4.771678 4.666213 4.552491 4.429109 4.294272 4.145634 3.980042 3.793126 3.578571 3.326761 3.02198 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.065950000000001e-10 8.458499e-10 8.082024000000001e-10 7.808496e-10 7.593536000000001e-10 7.416433e-10 7.265828000000001e-10 7.134815e-10 7.018878000000001e-10 6.914903000000001e-10 6.82065e-10 6.734456e-10 6.655051000000001e-10 6.581443e-10 6.512842e-10 6.448611e-10 6.388226000000001e-10 6.331253e-10 6.277326000000001e-10 6.226136000000001e-10 6.177419000000001e-10 6.130947e-10 6.086521e-10 6.04397e-10 6.000953e-10 5.956623e-10 5.910898000000001e-10 5.863688e-10 5.814893e-10 5.764402e-10 5.712093e-10 5.657832e-10 5.601465e-10 5.542824e-10 5.481716e-10 5.417925999999999e-10 5.351207e-10 5.281277e-10 5.207811000000001e-10 5.130432e-10 5.0487e-10 4.962097e-10 4.870004e-10 4.771677999999999e-10 4.666213e-10 4.552491e-10 4.4291090000000005e-10 4.294272e-10 4.1456340000000006e-10 3.980042e-10 3.793126e-10 3.5785710000000005e-10 3.326761e-10 3.0219800000000004e-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" [ 0.407191 0.670034 0.901787 1.11108 1.30174 1.47605 1.63559 1.78154 1.91487 2.03634 2.14665 2.2464 2.33612 2.41628 2.48729 2.54955 2.60342 2.64922 2.68727 2.71786 2.74124 2.75767 2.76737 2.77055 2.76708 2.75576 2.73503 2.703 2.65742 2.59552 2.51397 2.40867 2.27455 2.10537 1.89331 1.62855 1.29861 0.887559 0.374755 -0.266783 -1.07279 -2.09125 -3.38772 -5.05339 -7.2178 -10.0696 -13.8917 -19.1231 -26.4748 -37.16 -53.3907 -79.5668 -125.521 -217.122 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.52391905775094e-20 1.073512818785556e-19 1.444822060244958e-19 1.78014641450472e-19 2.0856174115431596e-19 2.3648928206157e-19 2.62050408080406e-19 2.8543417605363598e-19 3.06795997114758e-19 3.26257636687956e-19 3.4393124713761e-19 3.5991295906175996e-19 3.74287687822008e-19 3.87130735720152e-19 3.985077919981859e-19 4.0848294372146996e-19 4.1711386924882796e-19 4.24451838232548e-19 4.3054812032491796e-19 4.35449178648324e-19 4.39195067618616e-19 4.41827443828278e-19 4.43381555163258e-19 4.4389104733287e-19 4.433350920408719e-19 4.41521428091184e-19 4.38200115928902e-19 4.3306834417019995e-19 4.25765623072428e-19 4.1584814970796796e-19 4.02782399257698e-19 3.8591147930167794e-19 3.6442308628647e-19 3.37317461992458e-19 3.0334170429185397e-19 2.6092247573007e-19 2.08060259867874e-19 1.4220262910964058e-19 6.0042370447467e-20 -4.2743348894842194e-20 -1.7187990711888598e-19 -3.3505518858525e-19 -5.42772582653448e-19 -8.09642338048926e-19 -1.15641905088852e-18 -1.6133277833726399e-18 -2.22569571465378e-18 -3.06385839896454e-18 -4.24173059498232e-18 -5.953688371943999e-18 -8.554133201290379e-18 -1.274800678021512e-17 -2.01106813276314e-17 -3.47867795127348e-17 ] } }