{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.93236 7.400863 7.071462 6.832134 6.644052 6.489094 6.35732 6.242689 6.141248 6.050274 5.967806 5.89239 5.822913 5.758509 5.698486 5.642286 5.589452 5.539602 5.492418 5.447629 5.405003 5.364341 5.325471 5.28824 5.250601 5.211815 5.171807 5.1305 5.087806 5.043629 4.997861 4.950384 4.901066 4.849757 4.796291 4.740477 4.6821 4.620914 4.556634 4.488931 4.417419 4.341645 4.261067 4.175035 4.082758 3.983256 3.875302 3.757325 3.627272 3.482386 3.318842 3.131115 2.910791 2.64412 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.93236e-10 7.400863e-10 7.071462e-10 6.832134e-10 6.644052e-10 6.489094e-10 6.35732e-10 6.242689e-10 6.141248e-10 6.050274e-10 5.967806000000001e-10 5.89239e-10 5.822913e-10 5.758509e-10 5.698486e-10 5.642286000000001e-10 5.589451999999999e-10 5.539602000000001e-10 5.492418e-10 5.447629e-10 5.405003e-10 5.364340999999999e-10 5.325471000000001e-10 5.288240000000001e-10 5.250601e-10 5.211815e-10 5.171807000000001e-10 5.1305e-10 5.087806e-10 5.043629e-10 4.997861000000001e-10 4.950384e-10 4.901066e-10 4.849757000000001e-10 4.796291e-10 4.740477e-10 4.682100000000001e-10 4.6209140000000004e-10 4.556634e-10 4.488931e-10 4.417419e-10 4.341645e-10 4.2610669999999997e-10 4.1750350000000004e-10 4.082758e-10 3.983256e-10 3.875302e-10 3.7573249999999997e-10 3.6272720000000004e-10 3.482386e-10 3.3188420000000004e-10 3.131115e-10 2.910791e-10 2.6441200000000004e-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" [ 0.667347 1.41551 2.19278 2.19027 2.04909 2.08498 2.2566 2.41693 2.55213 2.66487 2.74271 2.78648 2.80437 2.80829 2.80825 2.82024 2.85789 2.90848 2.95852 2.99958 3.029 3.04736 3.05737 3.06073 3.05807 3.04897 3.0328 3.00946 2.98014 2.94677 2.91315 2.87773 2.83604 2.78572 2.73689 2.69795 2.66286 2.60878 2.51455 2.39952 2.28414 2.14497 1.92912 1.759 1.80417 1.86483 1.83783 1.42851 -0.103146 -4.47613 -20.8492 -95.8804 -409.525 -445.116 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0692077701699979e-19 2.26789704719334e-19 3.5132208795025198e-19 3.50919941615118e-19 3.28300411896306e-19 3.3405062383573197e-19 3.6154717922844e-19 3.872348772013619e-19 4.08896305293042e-19 4.26959244664758e-19 4.39430587583814e-19 4.46443314710832e-19 4.49309608709058e-19 4.49937661949586e-19 4.4993125324305e-19 4.518522630272159e-19 4.57884458054226e-19 4.659898696456319e-19 4.74007161522168e-19 4.805856987813719e-19 4.852993024386e-19 4.882408987386239e-19 4.89844677549258e-19 4.90383008898282e-19 4.899568299136379e-19 4.88498849176698e-19 4.8590812955952e-19 4.821686492957639e-19 4.77471067404876e-19 4.72124603977218e-19 4.6673808613371e-19 4.61063176496082e-19 4.54383702108936e-19 4.46321549286648e-19 4.384981207828259e-19 4.3225924497003e-19 4.2663720716132394e-19 4.1797263592465194e-19 4.0287532550246993e-19 3.8444548768156794e-19 3.6595957367847596e-19 3.4366208146309795e-19 3.0907909881820796e-19 2.8182286992059995e-19 2.89059901776378e-19 2.98778705238222e-19 2.94452828326422e-19 2.28872534343534e-19 -1.65258111090564e-20 -7.17155089674642e-19 -3.34041010775928e-18 -1.536173365385736e-17 -6.561313860388499e-17 -7.13154454619544e-17 ] } }