{ "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 3.632064 3.605233 3.577559 3.548985 3.519452 3.488892 3.457233 3.424391 3.390275 3.354783 3.317798 3.279189 3.238807 3.196482 3.152017 3.105184 3.055716 3.0033 2.947561 2.888049 2.824217 2.755387 2.680711 2.599101 2.509138 2.408914 ] "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 3.632064e-10 3.6052330000000003e-10 3.577559e-10 3.548985e-10 3.519452e-10 3.4888920000000003e-10 3.457233e-10 3.4243910000000003e-10 3.390275e-10 3.354783e-10 3.317798e-10 3.279189e-10 3.238807e-10 3.196482e-10 3.152017e-10 3.105184e-10 3.055716e-10 3.0033e-10 2.947561e-10 2.8880490000000004e-10 2.824217e-10 2.755387e-10 2.680711e-10 2.599101e-10 2.5091380000000004e-10 2.408914e-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 3.75224 3.74839 3.74106 3.72933 3.71215 3.68869 3.65842 3.62073 3.57461 3.51804 3.4485 3.36275 3.2551 3.1109 2.9009 2.58416 2.11314 1.4492 0.545529 -0.666406 -2.45161 -5.31022 -10.2022 -19.3034 -37.9392 -79.7839 ] "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 6.01175125316016e-19 6.005582873119259e-19 5.993838918392039e-19 5.97504538647522e-19 5.947519991903099e-19 5.9099329280694595e-19 5.86143504135828e-19 5.801049004022819e-19 5.727156617662739e-19 5.63652148547736e-19 5.525106122349e-19 5.3877194759835e-19 5.215245161333399e-19 4.9842112907106e-19 4.6477541975706e-19 4.140280770517439e-19 3.38562353237076e-19 2.3218743779928e-19 8.74033816969386e-20 -1.067700121957404e-19 -3.92791225768074e-19 -8.50791040539948e-19 -1.6345726455394797e-18 -3.0927456436755597e-18 -6.07852997526528e-18 -1.278279003493926e-17 ] } }