{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 8.87592 8.281201 7.912617 7.644822 7.434367 7.260976 7.113528 6.985261 6.871754 6.769958 6.677681 6.593294 6.515553 6.443488 6.376325 6.31344 6.254321 6.198542 6.145745 6.095628 6.047932 6.002434 5.958939 5.91728 5.888919 5.859071 5.82757 5.794222 5.758799 5.721023 5.680561 5.637 5.589826 5.538387 5.481831 5.41903 5.348428 5.267812 5.173861 5.061274 4.92078 4.73382 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.87592e-10 8.281201e-10 7.912617e-10 7.644822e-10 7.434367000000001e-10 7.260976000000001e-10 7.113528e-10 6.985261000000001e-10 6.871754000000001e-10 6.769958e-10 6.677681e-10 6.593294000000001e-10 6.515553e-10 6.443488000000001e-10 6.376325e-10 6.31344e-10 6.254321e-10 6.198542e-10 6.145745e-10 6.095628e-10 6.047932e-10 6.002434e-10 5.958939e-10 5.91728e-10 5.888919e-10 5.859071e-10 5.82757e-10 5.794222e-10 5.758798999999999e-10 5.721023e-10 5.680561e-10 5.637e-10 5.589826000000001e-10 5.538387e-10 5.481831e-10 5.419030000000001e-10 5.348428e-10 5.267812e-10 5.173861e-10 5.061274e-10 4.92078e-10 4.73382e-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" [ 0.876073 2.0155 2.67197 3.11215 3.44663 3.72047 3.95343 4.155 4.33051 4.4835 4.61659 4.73194 4.83136 4.91643 4.98856 5.04902 5.09898 5.13948 5.17153 5.19602 5.2138 5.22566 5.2323 5.23439 5.23343 5.23038 5.2249 5.21661 5.20503 5.18954 5.16932 5.14327 5.10984 5.06691 5.01097 4.93277 4.81397 4.62101 4.29473 3.7328 2.72527 0.7474 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4036236787141184e-19 3.2291869792224e-19 4.2809678654789763e-19 4.98621397042272e-19 5.522110006547904e-19 5.960850052387777e-19 6.334093117969345e-19 6.657043859424001e-19 6.938241878140609e-19 7.1833588793568005e-19 7.396592565819073e-19 7.5814036390283525e-19 7.740692038668289e-19 7.876989203799744e-19 7.992554203458048e-19 8.089421801951616e-19 8.169466545926785e-19 8.234354699069184e-19 8.285704459765824e-19 8.324941765209216e-19 8.353428465527041e-19 8.372430280249729e-19 8.383068733011841e-19 8.386417282149313e-19 8.384879192593345e-19 8.379992553899905e-19 8.37121262601792e-19 8.357930581831489e-19 8.339377376562624e-19 8.314559660706432e-19 8.282163649433856e-19 8.240426948462017e-19 8.186866184028673e-19 8.118084741697729e-19 8.028458981530177e-19 7.903168769783615e-19 7.712830187232577e-19 7.403674186483008e-19 6.880915998648385e-19 5.98060489012224e-19 4.366363879367617e-19 1.19746680638592e-19 ] } }