{ "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" [ "Md" "Md" ] } "a" { "source-value" [ 5.71257 5.329807 5.092585 4.920231 4.784782 4.673187 4.578289 4.495736 4.422683 4.357166 4.297777 4.243465 4.19343 4.147049 4.103823 4.06335 4.025301 3.989401 3.955421 3.923165 3.892468 3.863185 3.835192 3.80838 3.790127 3.770916 3.750642 3.729179 3.706381 3.682068 3.656026 3.62799 3.597629 3.564523 3.528123 3.487704 3.442265 3.390379 3.329912 3.257451 3.167028 3.0467 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.71257e-10 5.329807e-10 5.092585e-10 4.920231000000001e-10 4.784782e-10 4.673187000000001e-10 4.578289e-10 4.495736e-10 4.4226830000000004e-10 4.357166e-10 4.2977770000000003e-10 4.2434649999999996e-10 4.1934300000000005e-10 4.1470490000000004e-10 4.1038230000000004e-10 4.0633499999999997e-10 4.025301e-10 3.989401e-10 3.955421e-10 3.923165e-10 3.8924680000000004e-10 3.863185e-10 3.8351920000000004e-10 3.8083800000000003e-10 3.790127e-10 3.7709160000000003e-10 3.7506420000000004e-10 3.729179e-10 3.706381e-10 3.6820680000000003e-10 3.656026e-10 3.62799e-10 3.597629e-10 3.564523e-10 3.528123e-10 3.487704e-10 3.442265e-10 3.390379e-10 3.329912e-10 3.2574510000000003e-10 3.167028e-10 3.0467e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.604589 0.90487 1.1694 1.41165 1.63686 1.84827 2.04713 2.23409 2.40973 2.57441 2.72854 2.87198 3.00473 3.12707 3.23902 3.34035 3.43054 3.5094 3.57674 3.63233 3.676 3.70765 3.72683 3.73329 3.73004 3.71911 3.69838 3.66499 3.61504 3.54328 3.44228 3.3017 3.10658 2.8347 2.45204 1.90413 1.10006 -0.121163 -2.07103 -5.41207 -11.7834 -26.2954 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.686583609928513e-20 1.449761558863296e-19 1.87358534036352e-19 2.26171262675232e-19 2.622538823522688e-19 2.9612549829260165e-19 3.2798638257383045e-19 3.5794067667630723e-19 3.8608130684403846e-19 4.124659514353728e-19 4.371602996917632e-19 4.601419211405185e-19 4.814108157816384e-19 5.010118445605056e-19 5.189482118303616e-19 5.35183067528928e-19 5.496330984719232e-19 5.62267863303552e-19 5.730569206680192e-19 5.819634205030465e-19 5.889601258060801e-19 5.940310148109121e-19 5.971039895696064e-19 5.981389956666432e-19 5.976182882648832e-19 5.958671092183489e-19 5.925457970834304e-19 5.871961293465792e-19 5.791932571256832e-19 5.676960376948225e-19 5.515140538247424e-19 5.28990654889536e-19 4.977289846644865e-19 4.54169006698176e-19 3.9286011612664324e-19 3.050752568963904e-19 1.7624904134772482e-19 -1.9412452590599043e-20 -3.318155846975424e-19 -8.671092024133057e-19 -1.8879087993534722e-18 -4.2129875114584325e-18 ] } }