{ "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 5.262894 5.236219 5.208066 5.178264 5.146606 5.112846 5.076686 5.037756 4.995597 4.949626 4.899083 4.842957 4.779861 4.707815 4.623851 4.523233 4.397674 4.23059 ] "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 5.262894000000001e-10 5.236219000000001e-10 5.208065999999999e-10 5.178264e-10 5.146606e-10 5.112846e-10 5.076685999999999e-10 5.037756e-10 4.995597e-10 4.949626e-10 4.899083e-10 4.842957e-10 4.779861e-10 4.707815000000001e-10 4.6238510000000003e-10 4.5232330000000006e-10 4.397674e-10 4.2305900000000003e-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 3.0596 3.05545 3.04776 3.03585 3.01925 2.99786 2.97188 2.94239 2.9115 2.87714 2.8342 2.77903 2.72411 2.67882 2.61217 2.4577 2.25146 1.84915 ] "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 4.9020196293864e-19 4.8953705963553e-19 4.88304985803984e-19 4.8639679343289e-19 4.837371802204499e-19 4.80310124400324e-19 4.7614766950519195e-19 4.714228506115259e-19 4.664737269891e-19 4.60968648074676e-19 4.5408890160828e-19 4.45249693118502e-19 4.36450539044574e-19 4.2919428106918796e-19 4.1851577380357794e-19 3.9376695133818e-19 3.6072366043856395e-19 2.9626649227611e-19 ] } }