{ "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 4.012715 3.992376 3.970911 3.948188 3.924051 3.89831 3.870739 3.841057 3.808913 3.773862 3.735325 3.692532 3.644424 3.589492 3.525474 3.448757 3.353024 3.22563 ] "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 4.012715e-10 3.992376e-10 3.970911e-10 3.948188e-10 3.9240510000000003e-10 3.89831e-10 3.870739e-10 3.8410570000000006e-10 3.808913e-10 3.773862e-10 3.735325e-10 3.6925320000000003e-10 3.644424e-10 3.589492e-10 3.5254740000000004e-10 3.4487570000000003e-10 3.353024e-10 3.2256300000000005e-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 3.35907 3.35604 3.3502 3.34079 3.327 3.308 3.28275 3.24992 3.20818 3.1557 3.08769 2.996 2.86738 2.67735 2.38291 1.91096 1.13289 -0.324832 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0226678749289603e-19 2.675138281983552e-19 3.0404185297597444e-19 3.3992099622216965e-19 3.6789820437457924e-19 3.917866577907072e-19 4.134625052935105e-19 4.3220797175687046e-19 4.479397439965056e-19 4.618514435949121e-19 4.741801926919681e-19 4.845318558389568e-19 4.930842746407872e-19 5.005840634027521e-19 5.077714277236608e-19 5.145486348296448e-19 5.20691379993792e-19 5.259192823074625e-19 5.300657154020928e-19 5.332236055216897e-19 5.355499659750912e-19 5.371313142998209e-19 5.380365440905728e-19 5.383265380589377e-19 5.381823421630657e-19 5.376968826469632e-19 5.367612115004161e-19 5.352535633002432e-19 5.3304416174016e-19 5.3000002616064e-19 5.259545301931201e-19 5.206945843470336e-19 5.140070991318145e-19 5.05598876225856e-19 4.947024730277952e-19 4.800121155916801e-19 4.594049198949504e-19 4.2895875756988806e-19 3.817842691470528e-19 3.0616954352839683e-19 1.815089871938112e-19 -5.2043823608770564e-20 ] } }