{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.43 5.06617 4.840683 4.676854 4.548105 4.44203 4.351826 4.273356 4.203916 4.141641 4.085189 4.033563 3.986004 3.941917 3.900829 3.862358 3.826191 3.792067 3.759767 3.729108 3.699929 3.672094 3.645486 3.62 3.594235 3.567684 3.540298 3.512021 3.482796 3.452555 3.421225 3.388725 3.354965 3.319842 3.283242 3.245035 3.205074 3.16319 3.119188 3.072843 3.02389 2.97202 2.916861 2.857969 2.794802 2.726689 2.65279 2.572031 2.483005 2.383825 2.271873 2.143366 1.992546 1.81 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.43e-10 5.06617e-10 4.840683e-10 4.676853999999999e-10 4.5481049999999996e-10 4.44203e-10 4.351826e-10 4.273356e-10 4.203916000000001e-10 4.141641e-10 4.085189e-10 4.033563e-10 3.986004e-10 3.9419170000000004e-10 3.900829e-10 3.862358e-10 3.8261910000000004e-10 3.792067e-10 3.759767e-10 3.729108e-10 3.6999290000000003e-10 3.6720940000000003e-10 3.645486e-10 3.6200000000000004e-10 3.594235e-10 3.567684e-10 3.540298e-10 3.512021e-10 3.4827960000000004e-10 3.452555e-10 3.421225e-10 3.388725e-10 3.354965e-10 3.319842e-10 3.283242e-10 3.2450350000000005e-10 3.205074e-10 3.1631900000000004e-10 3.1191879999999997e-10 3.072843e-10 3.02389e-10 2.9720200000000004e-10 2.916861e-10 2.8579690000000003e-10 2.794802e-10 2.726689e-10 2.6527900000000003e-10 2.572031e-10 2.483005e-10 2.383825e-10 2.2718729999999999e-10 2.143366e-10 1.992546e-10 1.8100000000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.979243 1.3996 1.72237 1.98585 2.20766 2.39781 2.56269 2.7067 2.83305 2.94416 3.04192 3.12783 3.20313 3.26883 3.32581 3.37479 3.41639 3.45118 3.47962 3.50215 3.51913 3.5309 3.53777 3.54 3.53761 3.52988 3.51588 3.49453 3.46451 3.42427 3.37193 3.30524 3.22146 3.11727 2.98858 2.83032 2.63621 2.39833 2.10666 1.74834 1.30673 0.759991 0.0790308 -0.775605 -1.86109 -3.26784 -5.14803 -7.77449 -11.6707 -17.9167 -28.9266 -50.6032 -98.8793 -221.004 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.568920253608062e-19 2.2424064169463997e-19 2.7595409691025795e-19 3.1816824686288995e-19 3.5370612678164403e-19 3.84171515477154e-19 4.1058820381854597e-19 4.3366114952478e-19 4.5390465129537e-19 4.71706435875744e-19 4.87369314649728e-19 5.011336141124219e-19 5.13198004166442e-19 5.237243046518219e-19 5.32853507112354e-19 5.407009682656859e-19 5.47366023063126e-19 5.52939995572812e-19 5.57496585919908e-19 5.6110628987630995e-19 5.63826785800842e-19 5.6571254769906e-19 5.668132430466179e-19 5.67170528436e-19 5.667876082204739e-19 5.655491256823919e-19 5.633060783947919e-19 5.5988543128120195e-19 5.55075697025934e-19 5.48628538250718e-19 5.40242745748362e-19 5.295578297762159e-19 5.161347939365639e-19 4.99441715586918e-19 4.788233044839719e-19 4.53467257074288e-19 4.22367406431714e-19 3.84254828662122e-19 3.37524142778244e-19 2.80114949628756e-19 2.0936122729468198e-19 1.2176398222502938e-19 1.2662130112632719e-20 -1.24265620821357e-19 -2.98179491177106e-19 -5.235656891650559e-19 -8.24805337713102e-19 -1.2456106219266659e-18 -1.8698522842423798e-18 -2.8705718098387796e-18 -4.63455226210644e-18 -8.10752646456288e-18 -1.584221040462762e-17 -3.54087444820536e-17 ] } }