{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.36557 7.805047 7.457657 7.205259 7.006905 6.843484 6.704515 6.583623 6.476643 6.3807 6.293729 6.214194 6.140923 6.073001 6.0097 5.950431 5.894711 5.842139 5.792378 5.745143 5.70019 5.657307 5.616314 5.57705 5.55032 5.522188 5.492498 5.461068 5.427681 5.392078 5.353942 5.312886 5.268425 5.219943 5.16664 5.10745 5.040908 4.964927 4.876378 4.770265 4.637849 4.46164 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.36557e-10 7.805047e-10 7.457657000000001e-10 7.205259e-10 7.006905e-10 6.843484e-10 6.704515e-10 6.583623e-10 6.476643e-10 6.3807e-10 6.293729000000001e-10 6.214194e-10 6.140923e-10 6.073001e-10 6.009699999999999e-10 5.950431e-10 5.894711000000001e-10 5.842139000000001e-10 5.792378000000001e-10 5.745142999999999e-10 5.700190000000001e-10 5.657307000000001e-10 5.616314e-10 5.57705e-10 5.55032e-10 5.522188e-10 5.492498000000001e-10 5.461068e-10 5.427681e-10 5.392078e-10 5.353942e-10 5.312886e-10 5.268425e-10 5.219943e-10 5.16664e-10 5.10745e-10 5.040908e-10 4.964927e-10 4.876378e-10 4.770265000000001e-10 4.6378490000000004e-10 4.46164e-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" [ 0.827819 1.0426 1.19294 1.31025 1.40671 1.48836 1.55872 1.62004 1.67383 1.72121 1.76299 1.79984 1.83225 1.86064 1.88537 1.90673 1.92495 1.94024 1.95279 1.96278 1.97034 1.97561 1.97869 1.9797 1.97921 1.9776 1.97462 1.96994 1.96313 1.95365 1.94079 1.92355 1.90062 1.87013 1.82937 1.77434 1.69883 1.59273 1.43858 1.20344 0.817647 0.104969 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3263122480540353e-19 1.67042934484608e-19 1.911300578017152e-19 2.0992519174032e-19 2.253797874245568e-19 2.384615595333888e-19 2.4973447423733763e-19 2.595590212760832e-19 2.681771293193664e-19 2.757682421487168e-19 2.824621360704192e-19 2.8836615691806725e-19 2.9355881134608e-19 2.9810739077253125e-19 3.020695735557696e-19 3.0549182281779844e-19 3.08410988620896e-19 3.108607166740992e-19 3.1287144833320323e-19 3.144720227773824e-19 3.156832683027072e-19 3.1652761538186884e-19 3.1702108578107522e-19 3.17182905619776e-19 3.171043989653568e-19 3.1684644852940803e-19 3.1636899989640964e-19 3.1561918123787524e-19 3.1452809895911044e-19 3.13009235522592e-19 3.109488363882432e-19 3.0818668389398403e-19 3.045128929024896e-19 2.996278563856704e-19 2.930973844792896e-19 2.8428060653502723e-19 2.7218257087136643e-19 2.5518347692467843e-19 2.304859243150464e-19 1.9281234325355522e-19 1.3100149074672577e-19 1.6817887770875522e-20 ] } }