{ "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" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.34631 4.055091 3.874605 3.743473 3.640419 3.555513 3.483312 3.420503 3.364922 3.315075 3.269889 3.228567 3.190499 3.15521 3.122322 3.091529 3.06258 3.035267 3.009413 2.984872 2.961517 2.939238 2.91794 2.89754 2.883652 2.869036 2.853611 2.837282 2.819936 2.801438 2.781625 2.760294 2.737194 2.712006 2.684312 2.65356 2.618988 2.579512 2.533507 2.478376 2.409579 2.31803 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.34631e-10 4.055091e-10 3.874605e-10 3.7434729999999997e-10 3.640419e-10 3.5555130000000003e-10 3.4833120000000005e-10 3.420503e-10 3.364922e-10 3.3150750000000006e-10 3.2698890000000004e-10 3.228567e-10 3.190499e-10 3.15521e-10 3.122322e-10 3.091529e-10 3.06258e-10 3.035267e-10 3.009413e-10 2.984872e-10 2.9615170000000003e-10 2.9392380000000003e-10 2.91794e-10 2.89754e-10 2.8836520000000003e-10 2.869036e-10 2.853611e-10 2.837282e-10 2.8199360000000004e-10 2.801438e-10 2.781625e-10 2.760294e-10 2.7371940000000003e-10 2.7120060000000004e-10 2.684312e-10 2.65356e-10 2.618988e-10 2.579512e-10 2.533507e-10 2.478376e-10 2.409579e-10 2.31803e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.824837 1.22144 1.53614 1.79843 2.03007 2.2389 2.4261 2.59372 2.74345 2.87728 2.99681 3.10332 3.19785 3.28131 3.35445 3.41791 3.47226 3.51912 3.5579 3.58892 3.61254 3.62907 3.6388 3.64199 3.64044 3.6353 3.62573 3.61065 3.58864 3.5593 3.52114 3.46904 3.39878 3.30866 3.18587 3.01711 2.78157 2.44495 1.94704 1.17707 -0.105693 -2.53509 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3215345573708096e-19 1.9569626117099522e-19 2.4611675942757123e-19 2.881402500145344e-19 3.252530692587456e-19 3.5871132363091205e-19 3.88704069972288e-19 4.155597544901376e-19 4.395491450333761e-19 4.609910747495424e-19 4.801418918979648e-19 4.972066750861056e-19 5.12352050682528e-19 5.257238167597248e-19 5.3744213656425605e-19 5.476095493998529e-19 5.563173793339008e-19 5.638251789789696e-19 5.700384199144321e-19 5.750083717921536e-19 5.787927129704833e-19 5.814411109246656e-19 5.83000028776704e-19 5.835111231187392e-19 5.832627857425152e-19 5.82439266959424e-19 5.809059839333185e-19 5.784899015891521e-19 5.749635108467712e-19 5.70262724641344e-19 5.641488186563712e-19 5.558014784620032e-19 5.445445855242624e-19 5.301057698176128e-19 5.104326430908096e-19 4.833943104381888e-19 4.456566423118656e-19 3.91724172902496e-19 3.119501967762432e-19 1.8858740350450563e-19 -1.693388535822144e-20 -4.061661929623872e-19 ] } }