{ "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" [ "Na" "Na" ] } "a" { "source-value" [ 6.55992 6.120381 5.847972 5.650053 5.494512 5.366364 5.25739 5.162592 5.078703 5.003468 4.935269 4.872901 4.815445 4.762184 4.712546 4.66607 4.622377 4.581152 4.542131 4.505092 4.469841 4.436214 4.404069 4.37328 4.342154 4.310078 4.276992 4.242832 4.207525 4.170991 4.133142 4.093879 4.053094 4.010662 3.966447 3.92029 3.872013 3.821413 3.768255 3.712266 3.653127 3.590462 3.523826 3.452679 3.376368 3.294081 3.204805 3.107241 2.999689 2.879871 2.744623 2.589376 2.407172 2.18664 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.55992e-10 6.120381e-10 5.847972e-10 5.650053e-10 5.494512000000001e-10 5.366364e-10 5.25739e-10 5.162592e-10 5.078703e-10 5.003468e-10 4.935269e-10 4.872901e-10 4.815445000000001e-10 4.762184e-10 4.712546e-10 4.666070000000001e-10 4.6223770000000004e-10 4.5811520000000004e-10 4.5421310000000003e-10 4.5050920000000003e-10 4.469841e-10 4.436214e-10 4.404069e-10 4.3732800000000006e-10 4.342154e-10 4.310078e-10 4.276992e-10 4.242832e-10 4.2075250000000004e-10 4.170991e-10 4.1331420000000004e-10 4.093879e-10 4.053094e-10 4.010662e-10 3.9664470000000004e-10 3.9202900000000003e-10 3.872013e-10 3.8214130000000004e-10 3.768255e-10 3.712266e-10 3.6531270000000004e-10 3.590462e-10 3.5238260000000003e-10 3.452679e-10 3.376368e-10 3.294081e-10 3.204805e-10 3.107241e-10 2.999689e-10 2.879871e-10 2.744623e-10 2.589376e-10 2.407172e-10 2.1866400000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0436329 0.148712 0.264638 0.374587 0.474756 0.56477 0.645176 0.716744 0.780262 0.83647 0.886041 0.929579 0.967622 1.00064 1.02907 1.05327 1.07357 1.09027 1.10396 1.11482 1.12294 1.12853 1.13176 1.1328 1.1317 1.12815 1.1218 1.11218 1.09879 1.081 1.05807 1.02909 0.992975 0.948335 0.893442 0.826078 0.744112 0.644554 0.522401 0.372017 0.186217 -0.0453402 -0.336245 -0.705299 -1.17926 -1.79786 -2.62279 -3.75422 -5.36475 -7.75411 -11.4524 -17.452 -27.7684 -47.4829 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.99076128536586e-21 2.38262891595408e-20 4.239968200684919e-20 6.00154538800158e-20 7.60642970051304e-20 9.048612975841799e-20 1.0336859120175838e-19 1.148350489359696e-19 1.250117544798108e-19 1.34017268904198e-19 1.4195941869659938e-19 1.489349753257086e-19 1.5503013589443478e-19 1.6032020270457598e-19 1.6487519087503797e-19 1.6875245832931797e-19 1.7200487689633797e-19 1.74680511875118e-19 1.76873891687064e-19 1.7861385551158798e-19 1.79914822938396e-19 1.80810439676802e-19 1.81327942729584e-19 1.8149456909952e-19 1.8131832966977997e-19 1.8074955696470998e-19 1.7973217480211997e-19 1.7819088088021199e-19 1.7604556636728598e-19 1.7319529413539998e-19 1.69521503113638e-19 1.64878395228306e-19 1.5909213431461499e-19 1.51940017820439e-19 1.431451896234228e-19 1.323522869461452e-19 1.192198859479008e-19 1.0326893581512358e-19 8.36978675778234e-20 5.96036944850778e-20 2.9835252625357795e-20 -7.26430090208868e-21 -5.3872388229932996e-20 -1.1300135777835658e-19 -1.8893828174108397e-19 -2.88048928320324e-19 -4.20217285388886e-19 -6.014923562895479e-19 -8.595277097251499e-19 -1.242345385946574e-18 -1.83487676832216e-18 -2.7961186616568e-18 -4.44898816435656e-18 -7.60759928945586e-18 ] } }