{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.04806 5.642818 5.391665 5.209189 5.065784 4.947636 4.847165 4.759763 4.68242 4.613056 4.550178 4.492677 4.439704 4.390598 4.344834 4.301984 4.2617 4.223692 4.187716 4.153566 4.121066 4.090064 4.060427 4.03204 4.003342 3.973769 3.943266 3.911771 3.879219 3.845535 3.810639 3.774441 3.736838 3.697717 3.656951 3.614396 3.569886 3.523235 3.474224 3.422603 3.368079 3.310304 3.248868 3.183272 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.048060000000001e-10 5.642818e-10 5.391665e-10 5.209189000000001e-10 5.065784e-10 4.947636000000001e-10 4.847165000000001e-10 4.759763000000001e-10 4.682419999999999e-10 4.6130560000000003e-10 4.550178e-10 4.492677e-10 4.439704e-10 4.3905979999999997e-10 4.344834e-10 4.3019840000000003e-10 4.2617000000000004e-10 4.223692e-10 4.1877160000000004e-10 4.153566e-10 4.121066e-10 4.090064e-10 4.060427e-10 4.0320400000000005e-10 4.003342e-10 3.973769e-10 3.943266e-10 3.911771e-10 3.8792190000000003e-10 3.845535e-10 3.8106390000000003e-10 3.774441e-10 3.736838e-10 3.6977170000000003e-10 3.656951e-10 3.614396e-10 3.569886e-10 3.523235e-10 3.474224e-10 3.422603e-10 3.368079e-10 3.310304e-10 3.248868e-10 3.183272e-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" [ 1.26245 1.66969 1.89768 2.12162 2.29624 2.44534 2.58063 2.69763 2.79582 2.88265 2.9596 3.02421 3.07759 3.1244 3.16926 3.21156 3.2499 3.28253 3.30841 3.32812 3.34264 3.35251 3.35816 3.35997 3.35796 3.35115 3.33829 3.31849 3.29106 3.25524 3.21057 3.15664 3.0906 3.00814 2.90387 2.76994 2.59623 2.37102 2.08251 1.71953 1.2703 0.705769 -0.0165634 -0.933608 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0226678915933e-19 2.6751383040234594e-19 3.0404185548091196e-19 3.39920999022708e-19 3.6789820740561597e-19 3.9178666101855596e-19 4.13462508699942e-19 4.32207975317742e-19 4.47939747686988e-19 4.6185144740001e-19 4.7418019659864e-19 4.84531859830914e-19 4.930842787032059e-19 5.0058406752696e-19 5.077714319070839e-19 5.14548639068904e-19 5.206913842836599e-19 5.259192866404019e-19 5.300657197691939e-19 5.33223609914808e-19 5.355499703873759e-19 5.37131318725134e-19 5.380365485233439e-19 5.38326542494098e-19 5.38004504990664e-19 5.3691342270291e-19 5.34853023551586e-19 5.31680713816266e-19 5.27285943309204e-19 5.215469466062159e-19 5.14390023582138e-19 5.057494849949759e-19 4.951687105040399e-19 4.81957161980076e-19 4.65251266217358e-19 4.43793314558196e-19 4.1596190424898195e-19 3.79879284274668e-19 3.33654886207134e-19 2.75499078746202e-19 2.0352449781701998e-19 1.130766600801546e-19 -2.6537492459595595e-21 -1.495804922915472e-19 ] } }