{ "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" [ "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" [ 6.02364 5.620034 5.369895 5.188156 5.045331 4.927659 4.827593 4.740545 4.663514 4.59443 4.531806 4.474537 4.421778 4.372871 4.327291 4.284614 4.244493 4.206638 4.170808 4.136796 4.104427 4.073549 4.044032 4.01576 3.987178 3.957724 3.927344 3.895976 3.863556 3.830008 3.795253 3.759201 3.721749 3.682787 3.642186 3.599802 3.555472 3.509009 3.460196 3.408784 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.02364e-10 5.620034000000001e-10 5.369895e-10 5.188156e-10 5.045331e-10 4.927659000000001e-10 4.827593000000001e-10 4.740545e-10 4.663514000000001e-10 4.5944300000000004e-10 4.5318059999999996e-10 4.474537e-10 4.421778e-10 4.372871e-10 4.327291e-10 4.2846140000000007e-10 4.2444930000000005e-10 4.206638e-10 4.170808e-10 4.1367960000000004e-10 4.1044270000000007e-10 4.073549e-10 4.0440319999999995e-10 4.0157600000000004e-10 3.987178e-10 3.957724e-10 3.9273440000000006e-10 3.8959760000000004e-10 3.863556e-10 3.830008e-10 3.7952530000000003e-10 3.759201e-10 3.7217490000000003e-10 3.682787e-10 3.6421860000000003e-10 3.599802e-10 3.555472e-10 3.509009e-10 3.460196e-10 3.4087839999999997e-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" [ 2.6518 3.96233 5.12202 6.1833 7.16931 8.09174 8.96123 9.77946 10.5481 11.2706 11.9461 12.5748 13.1571 13.6935 14.1823 14.6231 15.0151 15.3587 15.6518 15.8934 16.0825 16.2188 16.3029 16.3311 16.2992 16.1925 15.9914 15.6707 15.1986 14.5342 13.6249 12.4037 10.7778 8.6267 5.78949 2.04611 -2.90427 -9.48112 -18.2838 -30.1728 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2486519980411997e-19 6.34835254219722e-19 8.20638076288068e-19 9.9067387810122e-19 1.148650096390254e-18 1.2964396756403159e-18 1.435747331789982e-18 1.566842230513764e-18 1.6899919353095398e-18 1.80574919711604e-18 1.9139762287427397e-18 2.01470507372232e-18 2.1079998191201397e-18 2.1939405737679e-18 2.2722549676378198e-18 2.34287891366454e-18 2.40568423771734e-18 2.46073502686158e-18 2.5076948240041197e-18 2.5464034114815596e-18 2.5767005716304997e-18 2.5985382391519202e-18 2.61201254464386e-18 2.6165306827517398e-18 2.6114197392892798e-18 2.5943245146045e-18 2.56210474249476e-18 2.51072293784238e-18 2.43508417895124e-18 2.32863556338828e-18 2.18294964205866e-18 1.98729183151458e-18 1.7267939325925197e-18 1.3821497168527798e-18 9.27578560077666e-19 3.27822963259374e-19 -4.65315353282718e-19 -1.519042892815008e-18 -2.9293877140729195e-18 -4.83421551423552e-18 ] } }