{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mo" "Mo" ] } "a" { "source-value" [ 3.68997 3.442728 3.289498 3.178168 3.090676 3.018592 2.957294 2.90397 2.856782 2.814462 2.7761 2.741018 2.708699 2.678739 2.650818 2.624675 2.600097 2.576908 2.554959 2.534124 2.514296 2.495381 2.477299 2.45998 2.44819 2.435781 2.422685 2.408821 2.394095 2.37839 2.361569 2.343459 2.323848 2.302463 2.278951 2.252842 2.223491 2.189976 2.150918 2.104112 2.045705 1.96798 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.6899700000000004e-10 3.442728e-10 3.289498e-10 3.178168e-10 3.090676e-10 3.018592e-10 2.9572940000000004e-10 2.9039700000000003e-10 2.856782e-10 2.8144619999999997e-10 2.7761000000000004e-10 2.741018e-10 2.7086990000000004e-10 2.6787390000000003e-10 2.6508180000000003e-10 2.624675e-10 2.600097e-10 2.576908e-10 2.5549590000000003e-10 2.534124e-10 2.514296e-10 2.495381e-10 2.477299e-10 2.45998e-10 2.44819e-10 2.435781e-10 2.422685e-10 2.408821e-10 2.394095e-10 2.37839e-10 2.361569e-10 2.343459e-10 2.323848e-10 2.302463e-10 2.2789510000000002e-10 2.252842e-10 2.223491e-10 2.1899760000000003e-10 2.150918e-10 2.1041120000000002e-10 2.045705e-10 1.9679800000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 6.41825 7.97354 8.87032 9.50849 9.99743 10.3796 10.6836 10.9338 11.1481 11.3389 11.5133 11.6753 11.8264 11.9672 12.0971 12.2156 12.3219 12.4153 12.4952 12.5611 12.6125 12.6494 12.6715 12.6789 12.6752 12.663 12.6402 12.6038 12.5501 12.4744 12.3702 12.2286 12.0377 11.7804 11.4328 10.9595 10.3079 9.39518 8.08372 6.12013 2.96689 -2.76986 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0283170181170498e-18 1.2775019478264358e-18 1.4211819440102879e-18 1.523428050262266e-18 1.6017648746050619e-18 1.6629952590266398e-18 1.71170142870024e-18 1.7517878880829197e-18 1.78612253334954e-18 1.81669206352626e-18 1.84463402402322e-18 1.87058928549402e-18 1.89479817443376e-18 1.91735682144048e-18 1.93816909591614e-18 1.95715488902904e-18 1.97418602664846e-18 1.98915035641002e-18 2.0019517477156798e-18 2.01251009173374e-18 2.0207452796325e-18 2.02665731141196e-18 2.0301981217731e-18 2.03138373248226e-18 2.03079092712768e-18 2.0288362716342e-18 2.02518330890868e-18 2.0193513859609198e-18 2.01074769743634e-18 1.9986192203169596e-18 1.98192453979068e-18 1.95923771865324e-18 1.9286521667101796e-18 1.88742816191736e-18 1.8317365021195197e-18 1.7559054820323e-18 1.6515076525608598e-18 1.5052737868224119e-18 1.2951547299798479e-18 9.805529283042418e-19 4.75348183364826e-19 -4.437804971451239e-19 ] } }