{ "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" [ 7.88754 7.359046 7.031506 6.793531 6.606511 6.452428 6.3214 6.207416 6.106549 6.016088 5.934087 5.859096 5.790012 5.725972 5.666288 5.610406 5.55787 5.508302 5.461384 5.416848 5.374463 5.334031 5.29538 5.25836 5.220934 5.182367 5.142585 5.101512 5.059059 5.015131 4.969622 4.922413 4.873374 4.822355 4.76919 4.713692 4.655645 4.594805 4.530888 4.463567 4.392459 4.317113 4.236991 4.151445 4.059689 3.960749 3.853405 3.736095 3.606777 3.462709 3.30009 3.113423 2.894344 2.62918 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.88754e-10 7.359046e-10 7.031506000000001e-10 6.793531e-10 6.606511e-10 6.452428e-10 6.3214e-10 6.207416000000001e-10 6.106549000000001e-10 6.016088e-10 5.934087e-10 5.859096000000001e-10 5.790012e-10 5.725972e-10 5.666288e-10 5.610406e-10 5.557870000000001e-10 5.508302e-10 5.461384e-10 5.416848e-10 5.374463000000001e-10 5.334031000000001e-10 5.29538e-10 5.25836e-10 5.220934e-10 5.182367e-10 5.142585000000001e-10 5.101512e-10 5.059059000000001e-10 5.015131e-10 4.969622000000001e-10 4.922412999999999e-10 4.873374e-10 4.822355e-10 4.76919e-10 4.713692000000001e-10 4.655645e-10 4.594805e-10 4.530888e-10 4.4635670000000003e-10 4.392459e-10 4.317113e-10 4.2369909999999997e-10 4.151445e-10 4.059689e-10 3.960749e-10 3.853405e-10 3.736095e-10 3.6067770000000003e-10 3.462709e-10 3.30009e-10 3.113423e-10 2.894344e-10 2.62918e-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" [ 1.24337 1.53719 1.74947 1.9163 2.05295 2.1676 2.26528 2.34933 2.42213 2.48542 2.5405 2.58847 2.63017 2.66628 2.69737 2.72392 2.74633 2.76495 2.7801 2.79203 2.80098 2.80716 2.81074 2.81191 2.81067 2.80668 2.7995 2.7886 2.77334 2.75298 2.72663 2.69324 2.65152 2.59993 2.53657 2.45914 2.36469 2.24934 2.10775 1.93251 1.713 1.43371 1.07128 0.589686 -0.0683579 -0.996875 -2.35563 -4.42682 -7.73097 -13.2756 -23.1177 -41.6919 -78.9358 -155.623 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.99209836141658e-19 2.46284990001846e-19 2.80295995588398e-19 3.0702510837341997e-19 3.2891885207703e-19 3.4728780718584e-19 3.62937868546752e-19 3.76404163155522e-19 3.88068009051042e-19 3.9820818496762796e-19 4.070329738677e-19 4.14718615180998e-19 4.21399691744778e-19 4.2718515157015197e-19 4.321663187252579e-19 4.36420097688528e-19 4.400105755253219e-19 4.4299382841783e-19 4.454211260183399e-19 4.47332522742702e-19 4.48766470830132e-19 4.49756615989944e-19 4.50330195224916e-19 4.50517649891094e-19 4.50318979988478e-19 4.496797115115119e-19 4.485293486883e-19 4.4678297615724e-19 4.44338054613756e-19 4.41076022986932e-19 4.368542875563419e-19 4.3150461977541595e-19 4.2482033885836798e-19 4.16554709603562e-19 4.0640331845053803e-19 3.93997664773476e-19 3.78865106465346e-19 3.60383998992156e-19 3.3769878003134993e-19 3.0962223669713396e-19 2.744528574042e-19 2.29705666193214e-19 1.71637978447152e-19 9.44781130596924e-20 -1.0952143012930859e-20 -1.5971698320187497e-19 -3.77413534434942e-19 -7.09254756692388e-19 -1.2386379492154979e-18 -2.12698561223304e-18 -3.703863877182179e-18 -6.679778800706459e-18 -1.264690943460972e-17 -2.4933553431298198e-17 ] } }