{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.88908 8.293478 7.924348 7.656155 7.445388 7.27174 7.124073 6.995616 6.881941 6.779994 6.687579 6.603067 6.525211 6.453038 6.385776 6.322798 6.263591 6.207729 6.154854 6.104663 6.056896 6.01133 5.967771 5.92605 5.897647 5.867755 5.836207 5.80281 5.767334 5.729503 5.688981 5.645355 5.598112 5.546596 5.489958 5.427063 5.356357 5.275621 5.181532 5.068778 4.928076 4.74084 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.889080000000001e-10 8.293478000000001e-10 7.924348e-10 7.656155e-10 7.445388e-10 7.27174e-10 7.124073e-10 6.995616e-10 6.881941e-10 6.779994000000001e-10 6.687579e-10 6.603067000000001e-10 6.525211e-10 6.453038e-10 6.385776e-10 6.322798e-10 6.263591e-10 6.207729e-10 6.154854000000001e-10 6.104663e-10 6.056896e-10 6.01133e-10 5.967771e-10 5.92605e-10 5.897647e-10 5.867755e-10 5.836207e-10 5.80281e-10 5.767334e-10 5.729503000000001e-10 5.688981e-10 5.645355e-10 5.598112e-10 5.546596e-10 5.489958e-10 5.427063e-10 5.356357e-10 5.275621e-10 5.181532e-10 5.068778e-10 4.928076e-10 4.74084e-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" [ 1.18471 0.596675 0.664412 1.11241 1.44081 1.73322 2.01131 2.27396 2.51818 2.7468 2.96599 3.17412 3.36144 3.52041 3.65 3.75351 3.83681 3.90647 3.96767 4.02242 4.0694 4.10553 4.12803 4.13558 4.13191 4.11993 4.0981 4.06467 4.01763 3.95456 3.87247 3.76776 3.63718 3.47913 3.29467 3.08315 2.82431 2.45611 1.88474 0.985568 -0.600418 -3.88581 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.898114664427968e-19 9.5597873521584e-20 1.0645053729789697e-19 1.782277294744128e-19 2.308432097014848e-19 2.776924562702976e-19 3.222473859181248e-19 3.6432855486343685e-19 4.034569122966144e-19 4.40085874201344e-19 4.752039835526592e-19 5.085500855613696e-19 5.385620580221953e-19 5.640318597630528e-19 5.84794466592e-19 6.013785967939008e-19 6.147247280451648e-19 6.258854903856577e-19 6.356908113049536e-19 6.444627283038337e-19 6.51989754068352e-19 6.577784181993024e-19 6.613833155961024e-19 6.625929589448064e-19 6.620049601249729e-19 6.600855525332544e-19 6.56588000970048e-19 6.512319245267136e-19 6.436952857024704e-19 6.335903577550848e-19 6.204380898749376e-19 6.0366169847854085e-19 5.827404761641344e-19 5.574180746723905e-19 5.278643247251136e-19 4.93975084841952e-19 4.525043451891649e-19 3.9351220201130877e-19 3.019686364286592e-19 1.5790540078086146e-19 -9.619756823074944e-20 -6.225753934870849e-19 ] } }