{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.15197 3.873773 3.701357 3.576088 3.477642 3.396533 3.32756 3.267559 3.214463 3.166845 3.12368 3.084205 3.04784 3.014129 2.982712 2.953295 2.925641 2.899548 2.874851 2.851407 2.829096 2.807813 2.787467 2.76798 2.748279 2.727977 2.707037 2.685416 2.663069 2.639945 2.615989 2.591139 2.565325 2.538468 2.510483 2.481269 2.450713 2.418687 2.385042 2.349604 2.312173 2.272511 2.230335 2.185304 2.137004 2.084923 2.028417 1.966666 1.898593 1.822757 1.737154 1.638894 1.523571 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.1519700000000005e-10 3.8737730000000003e-10 3.701357e-10 3.576088e-10 3.477642e-10 3.396533e-10 3.32756e-10 3.267559e-10 3.214463e-10 3.166845e-10 3.12368e-10 3.084205e-10 3.04784e-10 3.0141290000000004e-10 2.982712e-10 2.953295e-10 2.9256410000000004e-10 2.899548e-10 2.874851e-10 2.8514070000000003e-10 2.829096e-10 2.807813e-10 2.7874670000000003e-10 2.76798e-10 2.748279e-10 2.727977e-10 2.7070370000000005e-10 2.6854160000000003e-10 2.6630690000000003e-10 2.639945e-10 2.615989e-10 2.591139e-10 2.565325e-10 2.538468e-10 2.510483e-10 2.4812690000000005e-10 2.450713e-10 2.418687e-10 2.385042e-10 2.349604e-10 2.3121730000000002e-10 2.2725110000000003e-10 2.2303350000000003e-10 2.185304e-10 2.1370040000000002e-10 2.084923e-10 2.0284170000000002e-10 1.966666e-10 1.8985930000000001e-10 1.8227570000000002e-10 1.737154e-10 1.638894e-10 1.523571e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.01156 1.48823 1.81388 2.05481 2.24236 2.39662 2.52763 2.6407 2.73931 2.82571 2.90101 2.96593 3.02132 3.06829 3.10798 3.14133 3.16907 3.1918 3.21011 3.22453 3.23541 3.24298 3.24742 3.24886 3.24728 3.24219 3.23291 3.21865 3.19844 3.1711 3.1351 3.08854 3.029 2.95343 2.85798 2.73771 2.58624 2.39495 2.15204 1.84175 1.44384 0.934093 0.284126 -0.543408 -1.60587 -2.99616 -4.85532 -7.39809 -10.9819 -16.2097 -24.2222 -37.3263 -60.6037 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.62069779588904e-19 2.3844073320178197e-19 2.9061561528799197e-19 3.2921685693095395e-19 3.5926567970162397e-19 3.83980856457708e-19 4.0497097253974194e-19 4.2308678374037994e-19 4.38885847528254e-19 4.52728653646014e-19 4.647930437000339e-19 4.75194374407962e-19 4.8406883078368795e-19 4.91594254433586e-19 4.97953293493932e-19 5.03296552568322e-19 5.07740990551038e-19 5.1138273804012e-19 5.143163234569739e-19 5.16626662163202e-19 5.18369830340994e-19 5.19582678052932e-19 5.20294044478428e-19 5.205247579137239e-19 5.20271614005552e-19 5.19456106098846e-19 5.17969286182494e-19 5.1568458230241e-19 5.12446583325096e-19 5.0806623240774e-19 5.0229839652534e-19 4.94838662117436e-19 4.852993024386e-19 4.73191653615462e-19 4.57898877643932e-19 4.386294992668139e-19 4.1436132979161596e-19 3.8371329295983e-19 3.44794820343336e-19 2.9508088156695e-19 2.3132867112345597e-19 1.4965819785829617e-19 4.55220038311884e-20 -8.706356003286719e-20 -2.5728873912415797e-19 -4.80037754372544e-19 -7.779080254592879e-19 -1.1853046934229058e-18 -1.75949435769246e-18 -2.5970802584149802e-18 -3.8808242864074795e-18 -5.98033256936742e-18 -9.709783207394579e-18 ] } }