{ "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" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" ] } "a" { "source-value" [ 11.7992 11.008605 10.518626 10.16263 9.882861 9.652362 9.456352 9.285839 9.134948 8.999624 8.876955 8.764774 8.661429 8.565628 8.476345 8.392748 8.314158 8.240007 8.169821 8.103198 8.039793 7.97931 7.92149 7.86611 7.828409 7.78873 7.746854 7.702524 7.655435 7.605218 7.55143 7.493523 7.430813 7.362432 7.287251 7.203766 7.109913 7.002746 6.877854 6.728187 6.541423 6.29289 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1799200000000002e-09 1.1008605e-09 1.0518626e-09 1.016263e-09 9.882861000000001e-10 9.652362e-10 9.456352000000002e-10 9.285838999999999e-10 9.134948e-10 8.999624000000001e-10 8.876955000000001e-10 8.764774e-10 8.661429000000001e-10 8.565628000000001e-10 8.476345000000001e-10 8.392747999999999e-10 8.314158000000001e-10 8.240007000000001e-10 8.169821000000001e-10 8.103198000000001e-10 8.039792999999999e-10 7.979310000000001e-10 7.921490000000001e-10 7.86611e-10 7.828409e-10 7.78873e-10 7.746854e-10 7.702524e-10 7.655435e-10 7.605218e-10 7.55143e-10 7.493523e-10 7.430813e-10 7.362432e-10 7.287251e-10 7.203766e-10 7.109913e-10 7.002746e-10 6.877854e-10 6.728187000000001e-10 6.541423e-10 6.29289e-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" [ 0.949934 1.47101 1.74428 1.95606 2.1545 2.32847 2.47359 2.57641 2.64251 2.68755 2.72315 2.75464 2.78321 2.80843 2.8298 2.84736 2.86165 2.8734 2.88302 2.89045 2.89581 2.89943 2.90162 2.90237 2.90199 2.90072 2.8984 2.89491 2.8902 2.8843 2.8768 2.86776 2.85759 2.84687 2.83604 2.82354 2.80341 2.76759 2.71131 2.63646 2.5334 2.28917 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5219620461030271e-19 2.356817830963008e-19 2.7946446361290244e-19 3.133953600882048e-19 3.4518895295136e-19 3.730620196234176e-19 3.9631280674446724e-19 4.1278638675953284e-19 4.2337677422302087e-19 4.30592977723104e-19 4.36296726493152e-19 4.413419806720513e-19 4.4591939927767685e-19 4.499600887153345e-19 4.53383940153984e-19 4.561973623001089e-19 4.58486872691232e-19 4.60369430220672e-19 4.619107241298817e-19 4.63101141359136e-19 4.639599080278848e-19 4.645398959646145e-19 4.648907726445696e-19 4.650109358911296e-19 4.649500531795392e-19 4.647465767486977e-19 4.643748717726721e-19 4.638157121320128e-19 4.630610869436161e-19 4.62115802737344e-19 4.60914170271744e-19 4.594658026065408e-19 4.578363889831872e-19 4.561188556456897e-19 4.543836983653633e-19 4.523809775893632e-19 4.491557960516928e-19 4.434167993959873e-19 4.343997493741249e-19 4.2240745736743685e-19 4.05895425113472e-19 3.6676546550367362e-19 ] } }