{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.22544 3.94232 3.766853 3.639368 3.539179 3.456635 3.386442 3.325379 3.271344 3.222883 3.178954 3.138781 3.101772 3.067465 3.035491 3.005555 2.977411 2.950856 2.925722 2.901864 2.879158 2.857498 2.836792 2.81696 2.796911 2.776249 2.754938 2.732935 2.710192 2.68666 2.66228 2.63699 2.610719 2.583387 2.554906 2.525175 2.494079 2.461486 2.427245 2.391181 2.353088 2.312724 2.269801 2.223974 2.174819 2.121816 2.064311 2.001466 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.22544e-10 3.94232e-10 3.7668529999999997e-10 3.6393680000000005e-10 3.539179e-10 3.456635e-10 3.3864420000000003e-10 3.3253789999999997e-10 3.271344e-10 3.222883e-10 3.1789540000000004e-10 3.1387809999999997e-10 3.101772e-10 3.067465e-10 3.035491e-10 3.005555e-10 2.9774110000000004e-10 2.950856e-10 2.925722e-10 2.9018640000000005e-10 2.879158e-10 2.857498e-10 2.836792e-10 2.81696e-10 2.7969110000000003e-10 2.7762490000000003e-10 2.754938e-10 2.732935e-10 2.710192e-10 2.68666e-10 2.66228e-10 2.63699e-10 2.610719e-10 2.583387e-10 2.554906e-10 2.525175e-10 2.494079e-10 2.461486e-10 2.427245e-10 2.391181e-10 2.353088e-10 2.3127239999999998e-10 2.2698010000000003e-10 2.2239740000000003e-10 2.174819e-10 2.121816e-10 2.0643110000000002e-10 2.0014660000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.85889 2.27762 2.54665 2.76626 2.9698 3.14756 3.28535 3.39581 3.49224 3.57797 3.65512 3.72278 3.78056 3.82953 3.87092 3.90523 3.93233 3.95195 3.96433 3.97058 3.97316 3.97474 3.97606 3.97666 3.97577 3.97264 3.96696 3.95942 3.95232 3.94963 3.95306 3.95305 3.90813 3.70127 3.05427 1.36136 -2.63418 -11.4706 -30.2059 -68.8782 -147.496 -306.382 -627.928 -1284.63 -2650.25 -5566.45 -12025 -27036.4 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.9782701231762597e-19 3.64914954513108e-19 4.0801831249761e-19 4.432037135568839e-19 4.7581441676532e-19 5.04294708611304e-19 5.2637110045119e-19 5.440687435503539e-19 5.595185328320159e-19 5.73253993115298e-19 5.85614785846608e-19 5.96455112952252e-19 6.057124895435039e-19 6.1355834852020195e-19 6.20189757608328e-19 6.25686825639582e-19 6.300287243177219e-19 6.3317219487363e-19 6.351556895465219e-19 6.36157049942772e-19 6.365704115143439e-19 6.36823555422516e-19 6.370350427382039e-19 6.371311733362439e-19 6.36988579615818e-19 6.36487098329376e-19 6.355770620012639e-19 6.34369020819228e-19 6.332314754090879e-19 6.328004898945419e-19 6.33350036480004e-19 6.3334843430337e-19 6.261514568634419e-19 5.93008831012518e-19 4.89348002792718e-19 2.18113918246224e-19 -4.22042164575012e-19 -1.8377927297960397e-18 -4.83951871889406e-18 -1.103550426319788e-17 -2.36314644808464e-17 -4.90878081478188e-17 -1.0060515694343519e-16 -2.05820416933542e-16 -4.2461686242585e-16 -8.9184361243293e-16 -1.926617402385e-15 -4.33170883474776e-15 ] } }