{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.025 7.487295 7.154047 6.911925 6.721646 6.564878 6.431566 6.315596 6.21297 6.120933 6.037503 5.961206 5.890918 5.825761 5.765037 5.708181 5.654729 5.604297 5.556562 5.51125 5.468127 5.42699 5.387666 5.35 5.311922 5.272682 5.232208 5.190418 5.147226 5.102532 5.05623 5.008199 4.958304 4.906396 4.852305 4.79584 4.736781 4.67488 4.60985 4.541356 4.469009 4.392349 4.310831 4.223794 4.130439 4.029775 3.92056 3.801206 3.669634 3.523056 3.357602 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.025000000000001e-10 7.487295e-10 7.154047000000001e-10 6.911925e-10 6.721646e-10 6.564878e-10 6.431566e-10 6.315596e-10 6.212970000000001e-10 6.120933e-10 6.037503e-10 5.961206e-10 5.890918e-10 5.825761000000001e-10 5.765037000000001e-10 5.708181e-10 5.654729e-10 5.604297e-10 5.556562e-10 5.511250000000001e-10 5.468127e-10 5.42699e-10 5.387666e-10 5.35e-10 5.311922e-10 5.272682e-10 5.232208e-10 5.190418000000001e-10 5.147226e-10 5.102532000000001e-10 5.056230000000001e-10 5.008199e-10 4.958304000000001e-10 4.906396000000001e-10 4.852305e-10 4.79584e-10 4.736781e-10 4.67488e-10 4.60985e-10 4.5413560000000004e-10 4.469009e-10 4.3923490000000005e-10 4.3108310000000003e-10 4.223794e-10 4.130439e-10 4.029775e-10 3.92056e-10 3.801206e-10 3.669634e-10 3.523056e-10 3.357602e-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" [ 0.283546 0.371921 0.535927 0.713674 0.896168 1.07314 1.23624 1.40938 1.59131 1.76501 1.92802 2.08028 2.22125 2.35002 2.4657 2.56776 2.65607 2.73083 2.79251 2.84173 2.87918 2.90563 2.92182 2.92848 2.92533 2.9155 2.89601 2.86435 2.81832 2.75588 2.67491 2.57304 2.44754 2.29473 2.11303 1.90473 1.65663 1.35885 1.00017 0.565536 0.0350701 -0.616165 -1.41647 -2.38932 -3.61288 -5.16501 -7.19511 -9.93007 -13.736 -19.3331 -28.294 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.54290775864164e-20 5.95883135893914e-20 8.58649716929718e-20 1.1434318070933159e-19 1.4358194297385118e-19 1.7193598330107598e-19 1.9806748420161598e-19 2.25807570442692e-19 2.54955969945054e-19 2.8278577807763396e-19 3.08902859388468e-19 3.33297600817752e-19 3.5588348482724997e-19 3.7651471334326803e-19 3.9504869264537995e-19 4.1140050737198396e-19 4.25549329226838e-19 4.37527201742622e-19 4.47409427221134e-19 4.55295340613682e-19 4.61295492108012e-19 4.65533249304942e-19 4.68127173275388e-19 4.69194222913632e-19 4.68689537273922e-19 4.671145976427e-19 4.639919553830339e-19 4.5891946415979e-19 4.515446451134879e-19 4.415406542107919e-19 4.28567830005294e-19 4.12246456634736e-19 3.9213913987803597e-19 3.6765627873388196e-19 3.38544729294102e-19 3.0517139000788197e-19 2.6542138771834197e-19 2.1771177191108995e-19 1.60244900402778e-19 9.06088564885824e-20 5.61884947720434e-21 -9.872051656886099e-20 -2.26943513676198e-19 -3.82811267514888e-19 -5.78847191744592e-19 -8.275258336376339e-19 -1.1527837121059738e-18 -1.590972612798438e-18 -2.2007498244624e-18 -3.09750410827854e-18 -4.5331985682396e-18 ] } }