{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Cr" ] } "a" { "source-value" [ 3.56452 3.325685 3.177664 3.070119 2.985602 2.915969 2.856755 2.805244 2.75966 2.71878 2.681722 2.647833 2.616612 2.587671 2.560699 2.535445 2.511703 2.489303 2.4681 2.447973 2.428819 2.410547 2.39308 2.37635 2.359436 2.342007 2.324029 2.305467 2.286282 2.26643 2.245863 2.224529 2.202367 2.17931 2.155284 2.130203 2.103971 2.076476 2.04759 2.017167 1.985032 1.950981 1.914772 1.876113 1.834646 1.789933 1.741422 1.688407 1.629966 1.564859 1.491368 1.407009 1.308003 1.18817 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.56452e-10 3.325685e-10 3.177664e-10 3.070119e-10 2.985602e-10 2.915969e-10 2.856755e-10 2.8052440000000004e-10 2.75966e-10 2.7187800000000003e-10 2.6817220000000005e-10 2.647833e-10 2.616612e-10 2.587671e-10 2.560699e-10 2.535445e-10 2.5117029999999996e-10 2.4893030000000003e-10 2.4681000000000005e-10 2.4479730000000004e-10 2.428819e-10 2.410547e-10 2.39308e-10 2.3763500000000003e-10 2.359436e-10 2.3420070000000005e-10 2.324029e-10 2.3054670000000003e-10 2.286282e-10 2.2664300000000003e-10 2.245863e-10 2.224529e-10 2.2023670000000001e-10 2.1793100000000003e-10 2.155284e-10 2.130203e-10 2.1039710000000002e-10 2.076476e-10 2.0475900000000002e-10 2.017167e-10 1.985032e-10 1.9509810000000002e-10 1.914772e-10 1.8761129999999999e-10 1.834646e-10 1.789933e-10 1.741422e-10 1.688407e-10 1.629966e-10 1.564859e-10 1.491368e-10 1.407009e-10 1.308003e-10 1.18817e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.848854 1.18311 1.44026 1.6514 1.83038 1.98494 2.11994 2.25735 2.37542 2.47057 2.55502 2.62991 2.69617 2.75459 2.8058 2.85037 2.88878 2.92145 2.94869 2.97067 2.98755 2.99946 3.00653 3.00886 3.0063 2.99794 2.98255 2.95864 2.92442 2.87764 2.81557 2.73484 2.63122 2.49942 2.33278 2.12288 1.85914 1.52798 1.11177 0.587402 -0.0758775 -0.919428 -1.99974 -3.39533 -5.21767 -7.62918 -10.8726 -15.3219 -21.5743 -30.6266 -44.2281 -65.6615 -101.641 -167.625 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.360014044477436e-19 1.89555119745174e-19 2.30755091888484e-19 2.6458344933876e-19 2.9325920673409196e-19 3.1802244878919595e-19 3.39651833348196e-19 3.6166734247599e-19 3.80584241993628e-19 3.95828952666138e-19 4.0935933434026796e-19 4.21358035152294e-19 4.31974057529178e-19 4.4133397342500595e-19 4.4953871996772e-19 4.56679621225458e-19 4.62833581676652e-19 4.6806789273993e-19 4.72432221890946e-19 4.75953806132478e-19 4.7865828029067e-19 4.805664726617639e-19 4.81699211542002e-19 4.820725186977239e-19 4.8166236147942e-19 4.803229418133959e-19 4.778571919736699e-19 4.740263876417759e-19 4.68543739200228e-19 4.61048756906376e-19 4.51104046539138e-19 4.38169674572856e-19 4.2156792029134794e-19 4.00451232255228e-19 3.73752560826252e-19 3.4012287327859195e-19 2.97867066733476e-19 2.4480938532193197e-19 1.7812519163821798e-19 9.411217591648679e-20 -1.2156915754633499e-20 -1.4730860582453518e-19 -3.2039367020751597e-19 -5.43991839071922e-19 -8.35962895792278e-19 -1.2223293932580119e-18 -1.74198256708284e-18 -2.4548390168484597e-18 -3.45658393549062e-18 -4.90692228988644e-18 -7.086122838621539e-18 -1.05201321053391e-17 -1.62846835256394e-17 -2.6856485827424998e-17 ] } }