{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "U" "U" "U" "U" ] } "a" { "source-value" [ 6.42 5.989836 5.723238 5.52954 5.377317 5.251902 5.145253 5.052477 4.970376 4.896747 4.830002 4.768964 4.712734 4.660609 4.61203 4.566545 4.523783 4.483438 4.44525 4.409 4.374501 4.341592 4.310132 4.28 4.249537 4.218146 4.185766 4.152335 4.117781 4.082026 4.044984 4.006559 3.966643 3.925117 3.881844 3.836672 3.789425 3.739904 3.68788 3.633085 3.575207 3.51388 3.448664 3.379035 3.304351 3.22382 3.136448 3.040965 2.935707 2.818444 2.686081 2.534146 2.355828 2.14 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.420000000000001e-10 5.989836e-10 5.723238e-10 5.52954e-10 5.377317e-10 5.251902000000001e-10 5.145253e-10 5.052477e-10 4.970376e-10 4.896747000000001e-10 4.830002e-10 4.768964000000001e-10 4.712734e-10 4.660609e-10 4.61203e-10 4.5665449999999996e-10 4.523783e-10 4.483438e-10 4.4452499999999997e-10 4.409e-10 4.3745010000000006e-10 4.3415920000000003e-10 4.3101320000000003e-10 4.28e-10 4.249537e-10 4.2181460000000003e-10 4.185766e-10 4.152335e-10 4.117781e-10 4.082026e-10 4.0449840000000006e-10 4.0065590000000003e-10 3.9666430000000003e-10 3.9251170000000005e-10 3.881844e-10 3.836672e-10 3.789425e-10 3.7399040000000004e-10 3.68788e-10 3.633085e-10 3.575207e-10 3.51388e-10 3.448664e-10 3.379035e-10 3.3043510000000004e-10 3.22382e-10 3.1364480000000005e-10 3.040965e-10 2.935707e-10 2.818444e-10 2.6860810000000003e-10 2.5341459999999997e-10 2.355828e-10 2.14e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.93841 2.52271 2.9442 3.27826 3.55558 3.7921 3.99723 4.17708 4.33585 4.47656 4.60149 4.71237 4.81058 4.89721 4.97317 5.03921 5.09596 5.14395 5.18364 5.21544 5.23968 5.25668 5.26671 5.27 5.26642 5.25472 5.23328 5.20013 5.15285 5.08848 5.00339 4.89305 4.75183 4.57265 4.34652 4.06196 3.70415 3.25377 2.68536 1.96488 1.04624 -0.133939 -1.66446 -3.67202 -6.34183 -9.95178 -14.9331 -21.9837 -32.2967 -48.0603 -73.6689 -119.034 -209.979 -426.401 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.1056752091119395e-19 4.04182701635814e-19 4.717128445822799e-19 5.252351572176839e-19 5.69666719631772e-19 6.0756140137914e-19 6.40426850672382e-19 6.69241997434872e-19 6.946797558528899e-19 7.172239832699039e-19 7.372399759584659e-19 7.55004910476258e-19 7.7073988719877195e-19 7.84619543379114e-19 7.9678967709097785e-19 8.073704515819139e-19 8.164628039798639e-19 8.2415164964643e-19 8.305106887067759e-19 8.35605610402896e-19 8.394892865637119e-19 8.42212986841512e-19 8.438199700054139e-19 8.443470861179999e-19 8.43773506883028e-19 8.418989602212479e-19 8.384638935179519e-19 8.331526779762419e-19 8.255775868506899e-19 8.152643758576319e-19 8.016314548789258e-19 7.839530378993699e-19 7.61327099474022e-19 7.3261929854601005e-19 6.963892783213679e-19 6.507977400242639e-19 5.934702578831099e-19 5.213114266410179e-19 4.30242104587824e-19 3.14808482461392e-19 1.67626128155616e-19 -2.1459393618132598e-20 -2.6667589202276397e-19 -5.883224643580679e-19 -1.016073184280022e-18 -1.5944509382708518e-18 -2.3925463893185396e-18 -3.52217704688658e-18 -5.17450180953078e-18 -7.700108968303019e-18 -1.1803059023248258e-17 -1.90713493451556e-17 -3.36423447430686e-17 -6.83169718914234e-17 ] } }