{ "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" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.2893 4.0019 3.823782 3.694369 3.592666 3.508874 3.43762 3.375635 3.320782 3.271589 3.226996 3.186215 3.148647 3.113821 3.081365 3.050975 3.022406 2.99545 2.969936 2.945717 2.922668 2.900681 2.879662 2.85953 2.839177 2.818204 2.796571 2.774235 2.751148 2.72726 2.702512 2.676839 2.650171 2.622427 2.593515 2.563335 2.531769 2.498683 2.463925 2.427315 2.388646 2.347672 2.304101 2.25758 2.207683 2.153879 2.095504 2.03171 1.961385 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2893e-10 4.0019e-10 3.823782e-10 3.694369e-10 3.592666e-10 3.508874e-10 3.4376200000000003e-10 3.375635e-10 3.320782e-10 3.271589e-10 3.226996e-10 3.186215e-10 3.148647e-10 3.113821e-10 3.081365e-10 3.0509750000000004e-10 3.022406e-10 2.99545e-10 2.9699360000000004e-10 2.945717e-10 2.922668e-10 2.9006810000000003e-10 2.879662e-10 2.85953e-10 2.839177e-10 2.8182040000000004e-10 2.796571e-10 2.774235e-10 2.751148e-10 2.7272599999999996e-10 2.702512e-10 2.6768390000000005e-10 2.650171e-10 2.622427e-10 2.593515e-10 2.563335e-10 2.5317690000000004e-10 2.498683e-10 2.4639250000000004e-10 2.427315e-10 2.388646e-10 2.3476720000000005e-10 2.3041010000000001e-10 2.25758e-10 2.207683e-10 2.153879e-10 2.0955040000000001e-10 2.03171e-10 1.961385e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.01349 1.58764 2.0269 2.3778 2.64792 2.86709 3.05341 3.21571 3.36466 3.50866 3.64669 3.77629 3.89609 4.00571 4.10497 4.19108 4.26059 4.31396 4.35364 4.38216 4.40152 4.41321 4.41874 4.42014 4.41913 4.41647 4.41207 4.40517 4.39463 4.37944 4.35837 4.32939 4.28927 4.23233 4.15134 4.03944 3.8899 3.69514 3.44556 3.12866 2.72803 2.21818 1.55632 0.69844 -0.405205 -1.81563 -3.59082 -5.85241 -8.8909 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.62378999679266e-19 2.54367971120376e-19 3.2474518194545996e-19 3.8096556003251997e-19 4.2424355527012797e-19 4.59358460557506e-19 4.89210215602194e-19 5.15213542372014e-19 5.39077963335444e-19 5.621493068650439e-19 5.84264150944146e-19 6.05028360120786e-19 6.24222436196106e-19 6.417854964580139e-19 6.57688701727098e-19 6.71485044722472e-19 6.826217745054059e-19 6.9117259120106395e-19 6.97530028084776e-19 7.020994358449439e-19 7.052012498083679e-19 7.07074194293514e-19 7.079601979721159e-19 7.08184502700876e-19 7.080226828608419e-19 7.07596503876198e-19 7.068915461572379e-19 7.05786044279778e-19 7.04097350107542e-19 7.016636438004959e-19 6.982878576326579e-19 6.93644749747326e-19 6.87216817091718e-19 6.78094023337722e-19 6.65117994778956e-19 6.47189638244496e-19 6.2323068885966e-19 5.920266967358759e-19 5.520395723045039e-19 5.012665947730439e-19 4.370785922851019e-19 3.5539161660061194e-19 2.4934995390268795e-19 1.11902424825096e-19 -6.4920998297997e-20 -2.90895996198942e-19 -5.753127900899879e-19 -9.37659455458794e-19 -1.42447922352306e-18 ] } }