{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.07623 7.535092 7.199716 6.956048 6.764554 6.606785 6.472622 6.355911 6.252631 6.160006 6.076043 5.999258 5.928521 5.862949 5.801837 5.744618 5.690825 5.640071 5.592031 5.54643 5.503031 5.461632 5.422056 5.38415 5.358345 5.331185 5.302523 5.27218 5.239948 5.205576 5.168759 5.129123 5.0862 5.039395 4.987935 4.930792 4.866552 4.793199 4.707713 4.60527 4.477434 4.30732 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.076230000000001e-10 7.535092e-10 7.199715999999999e-10 6.956048e-10 6.764554e-10 6.606785000000001e-10 6.472622000000001e-10 6.355911e-10 6.252631e-10 6.160006e-10 6.076043000000001e-10 5.999258e-10 5.928521e-10 5.862949000000001e-10 5.801837e-10 5.744618000000001e-10 5.690825e-10 5.640071e-10 5.592031e-10 5.54643e-10 5.503031e-10 5.461632e-10 5.422056000000001e-10 5.38415e-10 5.358345e-10 5.331185e-10 5.302523e-10 5.272179999999999e-10 5.239948e-10 5.205576e-10 5.168759e-10 5.129123e-10 5.0862e-10 5.039395e-10 4.987935000000001e-10 4.930792000000001e-10 4.866552000000001e-10 4.793199e-10 4.707713e-10 4.6052700000000004e-10 4.477434e-10 4.30732e-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" [ 0.807847 1.37595 1.86101 2.28568 2.65267 2.96655 3.22823 3.41526 3.54476 3.6377 3.70942 3.77028 3.82684 3.88289 3.94026 3.99943 4.05992 4.12064 4.18014 4.23589 4.28033 4.3121 4.33115 4.33749 4.33436 4.32395 4.3045 4.27381 4.22921 4.16741 4.08443 3.97548 3.83484 3.6557 3.43011 3.1486 2.79942 2.36579 1.81728 1.08118 -0.0995222 -2.34315 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2943135765834176e-19 2.2045149213897603e-19 2.981666713075008e-19 3.6620630586301447e-19 4.250045856697536e-19 4.75293705443424e-19 5.172194632565185e-19 5.471849725953408e-19 5.679331598347009e-19 5.828237893484161e-19 5.943146000727937e-19 6.040654469869825e-19 6.131273579542272e-19 6.2210755791381125e-19 6.312992451873408e-19 6.407793242526144e-19 6.504708906318336e-19 6.601993070733312e-19 6.697322579670912e-19 6.786643926280513e-19 6.8578446553088645e-19 6.908745806551681e-19 6.93926727117792e-19 6.949425070953792e-19 6.944410258130688e-19 6.927731599508161e-19 6.8965692642336e-19 6.847398463741249e-19 6.775941386453569e-19 6.6769268712881285e-19 6.543978255294145e-19 6.3694211124579845e-19 6.144090992508672e-19 5.85707707265856e-19 5.495642048772288e-19 5.04461330825088e-19 4.485165275799937e-19 3.790413427722432e-19 2.9116035294474243e-19 1.732241318876544e-19 -1.5945214209058178e-20 -3.75414014902752e-19 ] } }