{ "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 3.60265 3.58439 3.565118 3.544718 3.523047 3.499937 3.475183 3.448534 3.419675 3.388206 3.353608 3.315188 3.271996 3.222678 3.165202 3.096325 3.010375 2.896 ] "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 3.6026500000000005e-10 3.58439e-10 3.565118e-10 3.544718e-10 3.523047e-10 3.4999370000000004e-10 3.475183e-10 3.448534e-10 3.419675e-10 3.388206e-10 3.353608e-10 3.3151880000000004e-10 3.2719960000000005e-10 3.2226780000000004e-10 3.165202e-10 3.096325e-10 3.010375e-10 2.896e-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" [ 1.42896 1.44403 1.76908 2.20897 2.59739 2.80422 2.88432 2.93782 2.99168 3.04466 3.10093 3.15983 3.21907 3.27622 3.32899 3.37588 3.41627 3.45029 3.47842 3.50113 3.51859 3.53077 3.53776 3.54 3.53898 3.53585 3.53057 3.52313 3.51346 3.50118 3.48473 3.46068 3.42365 3.36688 3.28305 3.1635 2.9961 2.76287 2.43009 1.92243 1.17092 0.0962912 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2894463229206397e-19 2.31359112479502e-19 2.8343786396767197e-19 3.5391601192069794e-19 4.1614775673852596e-19 4.492855760595479e-19 4.62119010897888e-19 4.706906558897879e-19 4.7931997924051195e-19 4.87808311047444e-19 4.96823758966962e-19 5.062605793412219e-19 5.15751873721038e-19 5.24908313184348e-19 5.33362999281966e-19 5.408756055187919e-19 5.47346796943518e-19 5.527974018523859e-19 5.57304324723828e-19 5.60942867859642e-19 5.63740268262606e-19 5.65691719402818e-19 5.668116408699839e-19 5.67170528436e-19 5.67007106419332e-19 5.665056251328899e-19 5.656596758701379e-19 5.64467656454442e-19 5.629183516493639e-19 5.6095087874281195e-19 5.583152981798819e-19 5.54462063375112e-19 5.485292032994099e-19 5.39433646548192e-19 5.2600259982537e-19 5.068485781659e-19 4.8002814131274e-19 4.42660575677958e-19 3.8934334165170597e-19 3.08007242650062e-19 1.8760206642832797e-19 1.5427551069982078e-20 ] } }