{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.48715 5.119491 4.89163 4.726077 4.595973 4.488781 4.397628 4.318333 4.248162 4.185231 4.128185 4.076016 4.027956 3.983405 3.941884 3.903009 3.866461 3.831978 3.799338 3.768356 3.73887 3.710743 3.683854 3.6581 3.640567 3.622115 3.602641 3.582025 3.560126 3.536773 3.511759 3.48483 3.455667 3.423867 3.388904 3.35008 3.306434 3.256596 3.198515 3.128913 3.042059 2.92648 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.48715e-10 5.119491e-10 4.89163e-10 4.726077e-10 4.595973e-10 4.4887810000000007e-10 4.397628e-10 4.318333e-10 4.248162e-10 4.185231e-10 4.128185e-10 4.076016e-10 4.027956e-10 3.983405e-10 3.941884e-10 3.903009e-10 3.8664610000000005e-10 3.831978e-10 3.799338e-10 3.768356e-10 3.73887e-10 3.710743e-10 3.6838540000000004e-10 3.6581e-10 3.640567e-10 3.622115e-10 3.602641e-10 3.582025e-10 3.560126e-10 3.5367730000000003e-10 3.511759e-10 3.4848300000000005e-10 3.455667e-10 3.4238670000000003e-10 3.3889040000000003e-10 3.3500800000000005e-10 3.306434e-10 3.256596e-10 3.198515e-10 3.128913e-10 3.042059e-10 2.9264800000000005e-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" [ 0.488035 1.04124 1.40281 1.73642 2.07013 2.38344 2.65522 2.88144 3.06429 3.20879 3.32373 3.41621 3.49121 3.5524 3.60247 3.64325 3.67586 3.70123 3.72024 3.73394 3.74336 3.74928 3.7524 3.75337 3.75287 3.75115 3.74786 3.74249 3.73444 3.72288 3.70678 3.68514 3.65677 3.62008 3.5726 3.50983 3.42474 3.30516 3.11887 2.75898 1.95697 0.148015 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.8191827357419e-20 1.6682503983861599e-19 2.2475494039415395e-19 2.78205155081028e-19 3.3167139153424194e-19 3.8186918765409595e-19 4.2541314421294795e-19 4.61657584027296e-19 4.90953383779986e-19 5.14104836141286e-19 5.32520254372482e-19 5.47337183883714e-19 5.593535086387139e-19 5.6915722746216e-19 5.771793258685979e-19 5.8371300218205e-19 5.88937700185524e-19 5.930024223059819e-19 5.96048160087216e-19 5.98243142075796e-19 5.99752392465024e-19 6.00700881032352e-19 6.012007601421599e-19 6.013561712756579e-19 6.01276062443958e-19 6.0100048806290995e-19 6.00473371950324e-19 5.99613003097866e-19 5.98323250907496e-19 5.96471134718592e-19 5.93891630337852e-19 5.90424520101876e-19 5.858791449912179e-19 5.80000758921072e-19 5.7239362426284e-19 5.62336761531222e-19 5.487038405525159e-19 5.29545012363144e-19 4.996980638483579e-19 4.42037328967332e-19 3.13541160743898e-19 2.3714617448151e-20 ] } }