{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.65922 5.280031 5.045024 4.87428 4.740095 4.629542 4.53553 4.453748 4.381377 4.316472 4.257637 4.203832 4.154265 4.108317 4.065494 4.025399 3.987705 3.952141 3.918478 3.886524 3.856113 3.827103 3.799372 3.77281 3.754727 3.735696 3.715612 3.69435 3.671764 3.647679 3.621881 3.594107 3.56403 3.531232 3.495173 3.455132 3.410117 3.358717 3.298815 3.22703 3.137453 3.01825 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.659220000000001e-10 5.280031e-10 5.045024e-10 4.87428e-10 4.740095e-10 4.629542e-10 4.53553e-10 4.453748e-10 4.381377e-10 4.3164720000000004e-10 4.2576370000000003e-10 4.2038320000000004e-10 4.154265e-10 4.1083170000000004e-10 4.065494e-10 4.025399e-10 3.987705e-10 3.9521410000000004e-10 3.918478e-10 3.8865240000000004e-10 3.8561130000000003e-10 3.827103e-10 3.799372e-10 3.77281e-10 3.7547270000000003e-10 3.735696e-10 3.7156120000000003e-10 3.6943500000000003e-10 3.671764e-10 3.6476790000000003e-10 3.6218810000000003e-10 3.594107e-10 3.56403e-10 3.531232e-10 3.495173e-10 3.455132e-10 3.410117e-10 3.358717e-10 3.298815e-10 3.22703e-10 3.137453e-10 3.0182500000000004e-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" [ 0.614246 1.03297 1.39293 1.7298 2.00406 2.23164 2.43052 2.59813 2.73343 2.85709 2.97843 3.09768 3.21238 3.32863 3.45551 3.58081 3.6916 3.78296 3.85574 3.91289 3.9581 3.9908 4.00869 4.01384 4.01197 4.00695 3.99964 3.99106 3.98158 3.97053 3.95633 3.93706 3.91353 3.887 3.85102 3.78943 3.68254 3.51037 3.24919 2.86139 2.29471 1.30546 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.841305806199168e-20 1.655000383987776e-19 2.2317198804109443e-19 2.77144511865984e-19 3.210858078680448e-19 3.5754814340421123e-19 3.8941223203868163e-19 4.162663143799104e-19 4.3794376405933435e-19 4.577562801521472e-19 4.771970912689344e-19 4.963030474719744e-19 5.146800133125505e-19 5.333053165293504e-19 5.536337334940608e-19 5.737090065526849e-19 5.914595213345281e-19 6.060970069421568e-19 6.177576483883392e-19 6.269140877762113e-19 6.34157528278848e-19 6.39396645828864e-19 6.422629398034752e-19 6.4308806076318725e-19 6.427884537350976e-19 6.41984161071456e-19 6.408129699616512e-19 6.394383024210048e-19 6.379194389844864e-19 6.361490338185024e-19 6.338739430169664e-19 6.3078654866868485e-19 6.270166270799425e-19 6.2276605250496e-19 6.170014210233216e-19 6.071336152158144e-19 5.900079493160832e-19 5.624232744357697e-19 5.205776254537152e-19 4.584452160990912e-19 3.6765307135159677e-19 2.091577491389568e-19 ] } }