{ "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" [ "Cd" "Cd" ] } "a" { "source-value" [ 3.80785 3.552711 3.394585 3.279699 3.189412 3.115026 3.05177 2.996742 2.948047 2.904376 2.864788 2.828585 2.795234 2.764317 2.735504 2.708526 2.683163 2.659233 2.636583 2.615083 2.594621 2.575102 2.556442 2.53857 2.520502 2.501883 2.482677 2.462848 2.442353 2.421146 2.399176 2.376385 2.35271 2.32808 2.302413 2.27562 2.247597 2.218225 2.187368 2.154868 2.120539 2.084164 2.045483 2.004184 1.959887 1.912122 1.8603 1.803666 1.741235 1.671683 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.8078500000000005e-10 3.552711e-10 3.394585e-10 3.279699e-10 3.189412e-10 3.115026e-10 3.05177e-10 2.996742e-10 2.948047e-10 2.904376e-10 2.864788e-10 2.828585e-10 2.7952340000000003e-10 2.764317e-10 2.735504e-10 2.708526e-10 2.683163e-10 2.659233e-10 2.636583e-10 2.615083e-10 2.594621e-10 2.575102e-10 2.556442e-10 2.53857e-10 2.5205020000000004e-10 2.501883e-10 2.482677e-10 2.4628480000000003e-10 2.4423530000000003e-10 2.4211459999999997e-10 2.3991760000000005e-10 2.376385e-10 2.35271e-10 2.32808e-10 2.3024130000000002e-10 2.27562e-10 2.247597e-10 2.2182249999999999e-10 2.1873680000000003e-10 2.154868e-10 2.120539e-10 2.084164e-10 2.045483e-10 2.004184e-10 1.959887e-10 1.912122e-10 1.8603e-10 1.803666e-10 1.7412350000000002e-10 1.671683e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.998916 1.06051 0.965758 0.832093 0.6642 0.389084 -2.89851 -16.9482 -19.9043 -20.2634 -20.663 -21.0971 -21.562 -22.0535 -22.569 -23.1067 -23.6638 -24.2379 -24.8281 -25.4333 -26.0524 -26.6844 -14.1781 -8.46554 -9.00945 -9.67871 -10.7957 -12.5923 -13.7828 -14.9187 -16.176 -17.5706 -19.1199 -20.845 -22.772 -24.9301 -27.3523 -30.0792 -33.1592 -36.6552 -40.6433 -45.2151 -50.4864 -56.6073 -63.7832 -72.2756 -82.42 -94.8208 -110.488 -130.925 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.600439874528744e-19 1.69912434212334e-19 1.5473149016985718e-19 1.333159961914962e-19 1.0641657203027999e-19 6.233812934632559e-20 -4.643924995415339e-19 -2.71540100283588e-18 -3.1890204376126196e-18 -3.24655460053956e-18 -3.3105775788342e-18 -3.38012806651614e-18 -3.4546132582308e-18 -3.5333602397919e-18 -3.6159524452746e-18 -3.7021014828847796e-18 -3.7913587431649195e-18 -3.8833397037228596e-18 -3.9779001686615394e-18 -4.07486389855122e-18 -4.174054653962159e-18 -4.2753122172309596e-18 -2.27158205345154e-18 -1.356329038219236e-18 -1.4434730275191297e-18 -1.550700300926214e-18 -1.72966182876738e-18 -2.01750888283182e-18 -2.20824801110952e-18 -2.3902392549655796e-18 -2.5916809231583996e-18 -2.8151204765360397e-18 -3.06334570244166e-18 -3.3397371935729997e-18 -3.6484766309448e-18 -3.994242370328339e-18 -4.3823215946158195e-18 -4.8192191409412795e-18 -5.3126895442132794e-18 -5.87281049545968e-18 -6.51177455886522e-18 -7.24425767239734e-18 -8.08881304147776e-18 -9.06948933738282e-18 -1.0219195268174879e-17 -1.1579827752833039e-17 -1.3205139817428e-17 -1.519196701771872e-17 -1.7702129193739197e-17 -2.0976497580645e-17 ] } }