{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.06595 8.458499 8.082024 7.808496 7.593536 7.416433 7.265828 7.134815 7.018878 6.914903 6.82065 6.734456 6.655051 6.581443 6.512842 6.448611 6.388226 6.331253 6.277326 6.226136 6.177419 6.130947 6.086521 6.04397 6.015002 5.984515 5.952339 5.918278 5.882097 5.843512 5.802184 5.757691 5.709508 5.656967 5.599201 5.535056 5.462943 5.380601 5.284639 5.169642 5.026141 4.83518 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.065950000000001e-10 8.458499e-10 8.082024000000001e-10 7.808496e-10 7.593536000000001e-10 7.416433e-10 7.265828000000001e-10 7.134815e-10 7.018878000000001e-10 6.914903000000001e-10 6.82065e-10 6.734456e-10 6.655051000000001e-10 6.581443e-10 6.512842e-10 6.448611e-10 6.388226000000001e-10 6.331253e-10 6.277326000000001e-10 6.226136000000001e-10 6.177419000000001e-10 6.130947e-10 6.086521e-10 6.04397e-10 6.015002e-10 5.984515e-10 5.952339e-10 5.918278e-10 5.882097e-10 5.843512e-10 5.802184e-10 5.757691000000001e-10 5.709508e-10 5.656967e-10 5.599201e-10 5.535056e-10 5.462943e-10 5.380601e-10 5.284639000000001e-10 5.169641999999999e-10 5.026141e-10 4.835180000000001e-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" [ 0.407191 0.670034 0.901787 1.11108 1.30174 1.47605 1.63559 1.78154 1.91487 2.03634 2.14665 2.2464 2.33612 2.41628 2.48729 2.54955 2.60342 2.64922 2.68727 2.71786 2.74124 2.75767 2.76737 2.77055 2.769 2.76384 2.75422 2.73903 2.71684 2.68576 2.64331 2.58609 2.50945 2.40681 2.2686 2.08052 1.82021 1.45105 0.908968 0.0721165 -1.32086 -3.94215 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.523919004001729e-20 1.0735128099411073e-19 1.4448220483413697e-19 1.7801463998384643e-19 2.085617394360192e-19 2.36489280113184e-19 2.6205040592142723e-19 2.854341737020032e-19 3.0679599458712965e-19 3.2625763399998723e-19 3.4393124430403206e-19 3.5991295609651203e-19 3.7428768473832965e-19 3.871307325306624e-19 3.985077887149632e-19 4.08482940356064e-19 4.171138658123136e-19 4.2445183473557767e-19 4.305481167777216e-19 4.354491750607489e-19 4.391950640001792e-19 4.418274401881536e-19 4.4338155151032965e-19 4.43891043675744e-19 4.4364270629952e-19 4.428159831631872e-19 4.412746892539777e-19 4.388409829669824e-19 4.352857530454272e-19 4.3030618810798084e-19 4.2350494835268486e-19 4.143372937284672e-19 4.0205821210665603e-19 3.8561347127076483e-19 3.6346978819468806e-19 3.333360503106816e-19 2.9162979069463686e-19 2.32483838561184e-19 1.4563272786553344e-19 1.1554337027392321e-20 -2.116251011349888e-19 -6.31602056568672e-19 ] } }