{ "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" [ "Au" "Au" ] } "a" { "source-value" [ 4.83762 4.513482 4.312594 4.166638 4.051934 3.957431 3.877068 3.807159 3.745295 3.689813 3.63952 3.593526 3.551155 3.511878 3.475272 3.440998 3.408777 3.378375 3.3496 3.322285 3.296289 3.271491 3.247785 3.22508 3.209623 3.193354 3.176185 3.15801 3.138703 3.118114 3.096061 3.072319 3.046608 3.018572 2.987748 2.953519 2.915039 2.871101 2.819895 2.758532 2.681958 2.58006 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.83762e-10 4.513482e-10 4.312594e-10 4.166638e-10 4.051934e-10 3.9574310000000003e-10 3.877068e-10 3.807159e-10 3.745295e-10 3.689813e-10 3.6395200000000004e-10 3.5935260000000006e-10 3.551155e-10 3.511878e-10 3.4752720000000003e-10 3.440998e-10 3.408777e-10 3.378375e-10 3.3496000000000005e-10 3.322285e-10 3.296289e-10 3.271491e-10 3.2477850000000003e-10 3.2250800000000004e-10 3.209623e-10 3.193354e-10 3.1761849999999997e-10 3.15801e-10 3.138703e-10 3.118114e-10 3.0960610000000003e-10 3.0723189999999997e-10 3.046608e-10 3.018572e-10 2.9877479999999997e-10 2.953519e-10 2.9150390000000003e-10 2.871101e-10 2.8198949999999997e-10 2.758532e-10 2.6819579999999997e-10 2.58006e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.629273 1.01897 1.35245 1.64521 1.90556 2.13881 2.34881 2.53947 2.71232 2.86723 3.00623 3.13079 3.24194 3.34052 3.42728 3.50285 3.56779 3.62264 3.66784 3.70387 3.73123 3.75044 3.76196 3.76585 3.7639 3.75744 3.74539 3.72646 3.699 3.66083 3.60899 3.53931 3.44607 3.32132 3.15362 2.92576 2.61084 2.16475 1.51032 0.500694 -1.17859 -4.33731 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0082064887006784e-19 1.632569911296576e-19 2.16686377080096e-19 2.635916998306368e-19 3.053043681531648e-19 3.426751378333248e-19 3.763208468701248e-19 4.0686794632229766e-19 4.345615692128256e-19 4.593808872456385e-19 4.816511422747584e-19 5.016078542634432e-19 5.194160474036353e-19 5.352103045314816e-19 5.491107888935425e-19 5.61218437616928e-19 5.716229725924032e-19 5.804109113574912e-19 5.876527496835072e-19 5.934253920482496e-19 5.978089472827584e-19 6.008867285713153e-19 6.027324360384769e-19 6.033556827439681e-19 6.030432583029121e-19 6.020082522058752e-19 6.000776293778113e-19 5.970447090346368e-19 5.9264513203392e-19 5.865296238723264e-19 5.782239402700992e-19 5.670599735763648e-19 5.521212787640257e-19 5.321341254195457e-19 5.052656234887297e-19 4.687584270071808e-19 4.183026808649472e-19 3.4683118398768006e-19 2.4197993939266563e-19 8.022002209748352e-20 -1.8883093435086722e-19 -6.949136679162049e-19 ] } }