{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 3.97212 3.705973 3.541026 3.421183 3.327001 3.249406 3.183421 3.126019 3.075223 3.029668 2.988372 2.950607 2.915817 2.883567 2.85351 2.825368 2.798911 2.773949 2.750322 2.727894 2.706549 2.686188 2.666723 2.64808 2.629233 2.60981 2.589777 2.569092 2.547713 2.525591 2.502673 2.478899 2.454203 2.42851 2.401737 2.373788 2.344556 2.313917 2.281729 2.247827 2.212017 2.174073 2.133724 2.090644 2.044436 1.994611 1.940553 1.881476 1.816352 1.743801 1.661906 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.97212e-10 3.705973e-10 3.541026e-10 3.4211830000000003e-10 3.3270010000000003e-10 3.249406e-10 3.183421e-10 3.126019e-10 3.075223e-10 3.029668e-10 2.988372e-10 2.9506070000000003e-10 2.915817e-10 2.883567e-10 2.85351e-10 2.825368e-10 2.798911e-10 2.773949e-10 2.750322e-10 2.727894e-10 2.706549e-10 2.6861880000000003e-10 2.6667230000000003e-10 2.64808e-10 2.6292330000000003e-10 2.60981e-10 2.589777e-10 2.569092e-10 2.547713e-10 2.525591e-10 2.502673e-10 2.4788990000000003e-10 2.454203e-10 2.42851e-10 2.401737e-10 2.373788e-10 2.344556e-10 2.3139170000000001e-10 2.281729e-10 2.247827e-10 2.212017e-10 2.174073e-10 2.133724e-10 2.0906440000000003e-10 2.0444360000000003e-10 1.994611e-10 1.940553e-10 1.881476e-10 1.816352e-10 1.743801e-10 1.661906e-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" [ -8.60894 -13.6793 -16.4387 -17.1648 -16.2336 -13.9158 -10.2391 -5.08554 1.68459 10.1792 20.4544 32.5822 46.5162 62.3243 79.9014 99.2202 120.412 143.42 168.362 195.091 223.652 254.04 284.311 298.754 275.636 183.77 -19.0727 -389.917 -1003.76 -1963.9 -3392.07 -5431.07 -8283.95 -12163.9 -16647.6 -21564 -26987.4 -33000.4 -39718.8 -47265.4 -55782 -65454.2 -76489.4 -89153 -103821 -121113 -141911 -167583 -200115 -242400 -299162 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.379304251150796e-18 -2.1916654829476198e-18 -2.63377010333358e-18 -2.75010414872832e-18 -2.6009094605702396e-18 -2.22955696034172e-18 -1.6404846773189399e-18 -8.147933359272359e-19 2.69901073587006e-19 1.63088763928128e-18 3.2771561742489598e-18 5.22024395243148e-18 7.452716874247079e-18 9.98545371904062e-18 1.2801615610388758e-17 1.589682860608068e-17 1.92921292853208e-17 2.2978417284827995e-17 2.6974566245350797e-17 3.12570241703694e-17 3.58330008547368e-17 4.0701695210135995e-17 4.5551644098917396e-17 4.78656678114036e-17 4.41617558689224e-17 2.9443200003018e-17 -3.05578342872918e-18 -6.247159065993779e-17 -1.6082008181438398e-16 -3.1465146915126e-16 -5.43469529489238e-16 -8.701533451618379e-16 -1.3272351127224301e-15 -1.94887163583126e-15 -2.6672395732178398e-15 -3.4549336935576e-15 -4.32385816924116e-15 -5.28724697926536e-15 -6.36365332905192e-15 -7.57275194766636e-15 -8.937261699778799e-15 -1.0486918983716279e-14 -1.2254952942867959e-14 -1.4283885345100198e-14 -1.66339580318514e-14 -1.94044418673642e-14 -2.27366488307574e-14 -2.6849756685562198e-14 -3.2061957711291e-14 -3.883676160816e-14 -4.7931036618070797e-14 ] } }