{ "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" [ 5.43058 5.066712 4.841201 4.677355 4.548592 4.442506 4.352293 4.273815 4.204368 4.142086 4.085628 4.033997 3.986432 3.94234 3.901248 3.862773 3.826602 3.792475 3.760172 3.729509 3.700327 3.67249 3.645879 3.62039 3.603038 3.584776 3.565502 3.545099 3.523426 3.500313 3.475557 3.448905 3.420043 3.388571 3.353968 3.315544 3.272348 3.223024 3.165542 3.096657 3.010698 2.89631 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.43058e-10 5.066712e-10 4.841201e-10 4.677355000000001e-10 4.548592e-10 4.442506e-10 4.3522930000000004e-10 4.273815e-10 4.2043679999999996e-10 4.1420860000000003e-10 4.085628e-10 4.0339970000000003e-10 3.986432e-10 3.9423400000000003e-10 3.9012479999999997e-10 3.862773e-10 3.826602e-10 3.7924750000000004e-10 3.760172e-10 3.729509e-10 3.7003270000000005e-10 3.67249e-10 3.645879e-10 3.62039e-10 3.603038e-10 3.5847760000000005e-10 3.565502e-10 3.545099e-10 3.5234260000000005e-10 3.500313e-10 3.475557e-10 3.448905e-10 3.4200430000000003e-10 3.388571e-10 3.353968e-10 3.315544e-10 3.272348e-10 3.223024e-10 3.165542e-10 3.096657e-10 3.010698e-10 2.89631e-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" [ 0.946543 1.36456 1.68796 1.95328 2.17749 2.37028 2.53788 2.68459 2.81356 2.92716 3.02726 3.11536 3.19268 3.26023 3.31887 3.36932 3.41223 3.44813 3.47752 3.50081 3.51838 3.53057 3.53768 3.54 3.53888 3.53521 3.5284 3.51775 3.50231 3.48089 3.45191 3.41325 3.36204 3.29426 3.20416 3.08327 2.91855 2.68903 2.35876 1.86093 1.05628 -0.400608 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.516529077676262e-19 2.1862661476910397e-19 2.7044100711266395e-19 3.1294995756595197e-19 3.48872359876866e-19 3.79760723203752e-19 4.06613203589592e-19 4.30118736987006e-19 4.50782009035704e-19 4.68982735597944e-19 4.85020523704284e-19 4.991356998498239e-19 5.11523729583912e-19 5.223464327465819e-19 5.31741596528358e-19 5.39824577646888e-19 5.46699517583382e-19 5.52451331699442e-19 5.57160128826768e-19 5.608915982073539e-19 5.637066225532919e-19 5.656596758701379e-19 5.66798823456912e-19 5.67170528436e-19 5.669910846529919e-19 5.66403085828314e-19 5.6531200354056e-19 5.6360568542535e-19 5.611319247024539e-19 5.57700062352426e-19 5.530569544670939e-19 5.468629396000499e-19 5.386581930573359e-19 5.27798639832084e-19 5.133630283597439e-19 4.93994315031318e-19 4.6760326151607e-19 4.3083010341250194e-19 3.77915015721384e-19 2.98153856350962e-19 1.69234713496152e-19 -6.41844776993472e-20 ] } }