{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 8.53918 7.967024 7.612425 7.354789 7.152319 6.985507 6.843653 6.720252 6.611052 6.513118 6.424342 6.343156 6.268365 6.199033 6.134419 6.07392 6.017044 5.963381 5.912587 5.864372 5.818485 5.774713 5.732869 5.69279 5.665505 5.636789 5.606483 5.574401 5.540321 5.503979 5.465052 5.423144 5.37776 5.328272 5.273862 5.213443 5.14552 5.067962 4.977576 4.86926 4.734096 4.55423 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.539180000000001e-10 7.967024000000001e-10 7.612425e-10 7.354789000000001e-10 7.152319e-10 6.985507e-10 6.843653e-10 6.720252e-10 6.611052e-10 6.513118000000001e-10 6.424342e-10 6.343156e-10 6.268365e-10 6.199033e-10 6.134419000000001e-10 6.07392e-10 6.017044000000001e-10 5.963381e-10 5.912587000000001e-10 5.864372e-10 5.818485e-10 5.774713000000001e-10 5.732869e-10 5.69279e-10 5.665505e-10 5.636789e-10 5.606483e-10 5.574401e-10 5.540320999999999e-10 5.503979e-10 5.465052e-10 5.423144e-10 5.37776e-10 5.328272e-10 5.273862e-10 5.213443e-10 5.145520000000001e-10 5.067962e-10 4.977576e-10 4.86926e-10 4.734096e-10 4.55423e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.525185 0.787221 1.01752 1.22859 1.42589 1.6107 1.78505 1.94894 2.10289 2.2472 2.38219 2.50814 2.6247 2.73181 2.8298 2.91851 2.99744 3.06641 3.12525 3.17377 3.21177 3.23903 3.25582 3.26149 3.25864 3.24903 3.23075 3.20124 3.15725 3.09406 3.00516 2.88146 2.70982 2.47072 2.13416 1.6526 0.945811 -0.127867 -1.8415 -4.77804 -10.3747 -23.1203 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.414391285948481e-20 1.2612670816027967e-19 1.630246755196416e-19 1.9684181745486723e-19 2.2845276218325124e-19 2.5806258831225603e-19 2.85996537695904e-19 3.122546103341952e-19 3.3692011941141122e-19 3.60041130226176e-19 3.8166891243035524e-19 4.018483269693312e-19 4.20523297661376e-19 4.376842114467648e-19 4.53383940153984e-19 4.675968489571008e-19 4.802428290250752e-19 4.912930411787328e-19 5.0072024841552e-19 5.084940093796416e-19 5.145822805386816e-19 5.189498140069824e-19 5.216398685533056e-19 5.225483026972992e-19 5.220916823603713e-19 5.205519906277824e-19 5.176232117649601e-19 5.128951885569792e-19 5.0584721360208e-19 4.957230595352448e-19 4.814797093763329e-19 4.616607845770368e-19 4.341610250576256e-19 3.958529820542976e-19 3.419301257046528e-19 2.6477570835340803e-19 1.515356271895469e-19 -2.0486551797183363e-20 -2.9504082472032e-19 -7.655263981247232e-19 -1.6622101787813762e-18 -3.704280412588224e-18 ] } }