{ "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" [ "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "a" { "source-value" [ 9.40643 8.776164 8.38555 8.101748 7.878714 7.69496 7.538699 7.402765 7.282474 7.174594 7.076801 6.98737 6.904982 6.828609 6.757432 6.690789 6.628136 6.569023 6.51307 6.459958 6.409411 6.361193 6.315099 6.27095 6.226317 6.180323 6.132881 6.083898 6.03327 5.980884 5.926611 5.870312 5.811828 5.750985 5.687583 5.621397 5.552173 5.479616 5.403392 5.323107 5.238307 5.148451 5.0529 4.950881 4.841456 4.723464 4.595449 4.455549 4.301328 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.40643e-10 8.776164e-10 8.385550000000001e-10 8.101748000000001e-10 7.878714e-10 7.69496e-10 7.538699000000001e-10 7.402765e-10 7.282474e-10 7.174594e-10 7.076801e-10 6.987370000000001e-10 6.904982000000001e-10 6.828609e-10 6.757432e-10 6.690789e-10 6.628136e-10 6.569023e-10 6.51307e-10 6.459958e-10 6.409411000000001e-10 6.361193000000001e-10 6.315099e-10 6.27095e-10 6.226317e-10 6.180323e-10 6.132881000000001e-10 6.083897999999999e-10 6.03327e-10 5.980884e-10 5.926611e-10 5.870312000000001e-10 5.811828e-10 5.750985e-10 5.687583e-10 5.621397e-10 5.552173e-10 5.479616e-10 5.403392000000001e-10 5.323107e-10 5.238307e-10 5.148451e-10 5.0529e-10 4.950881e-10 4.841456e-10 4.723464e-10 4.5954490000000006e-10 4.4555490000000004e-10 4.301328e-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" [ 1.85263 2.77698 3.58938 4.33396 5.02994 5.68189 6.29693 6.87506 7.41812 7.92719 8.40341 8.8477 9.25886 9.63671 9.98239 10.2953 10.5737 10.817 11.0246 11.1958 11.3298 11.426 11.4852 11.5052 11.4826 11.4071 11.2648 11.039 10.7062 10.2375 9.59545 8.73123 7.58065 6.05932 4.05234 1.40464 -2.09454 -6.74587 -12.9717 -21.3774 -32.8624 -48.7783 -71.2272 -103.553 -151.275 -223.883 -338.476 -527.724 -858.505 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.96824049744742e-19 4.44921246908532e-19 5.75082076654692e-19 6.94376944469064e-19 8.05885233842196e-19 9.103391394958259e-19 1.008879411193362e-18 1.101506048934804e-18 1.1885138532208079e-18 1.270075859127846e-18 1.3463747147921937e-18 1.4175578204641798e-18 1.483432914947724e-18 1.543971159063414e-18 1.599355200947526e-18 1.6494889100020197e-18 1.6940935074925799e-18 1.7330744649978e-18 1.7663356519196397e-18 1.79376491589372e-18 1.81523408278932e-18 1.8306470220084e-18 1.84013190768168e-18 1.84333626094968e-18 1.8397153417568398e-18 1.8276189081701397e-18 1.80481993466832e-18 1.7686427862725997e-18 1.71532234789308e-18 1.6402283290575e-18 1.5373605782715298e-18 1.398897269207982e-18 1.21455403005321e-18 9.708100921928879e-19 6.49256446102356e-19 2.25048138718176e-19 -3.3558230469783596e-19 -1.080807529000158e-18 -2.07829546432578e-18 -3.42503707756716e-18 -5.26513694171616e-18 -7.81514525062422e-18 -1.1411855554524478e-17 -1.6591019698060198e-17 -2.4236927030835e-17 -3.5870011134982196e-17 -5.42298338369784e-17 -8.45507062001016e-17 -1.3754766511721698e-16 ] } }