{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.75329 7.233791 6.911826 6.677902 6.494065 6.342605 6.213806 6.101763 6.002612 5.913691 5.833085 5.759371 5.691463 5.628513 5.569845 5.514914 5.463272 5.414547 5.368429 5.32465 5.282987 5.243243 5.20525 5.16886 5.132071 5.09416 5.055056 5.014681 4.972951 4.929771 4.885036 4.838631 4.790426 4.740276 4.688016 4.633462 4.576403 4.516599 4.45377 4.387595 4.317697 4.243634 4.164875 4.080785 3.990591 3.893335 3.787818 3.672505 3.545388 3.403772 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.75329e-10 7.233791000000001e-10 6.911826e-10 6.677902e-10 6.494065000000001e-10 6.342605e-10 6.213806000000001e-10 6.101763e-10 6.002612e-10 5.913691e-10 5.833085e-10 5.759371e-10 5.691463e-10 5.628513e-10 5.569845000000001e-10 5.514914000000001e-10 5.463272000000001e-10 5.414547e-10 5.368429e-10 5.32465e-10 5.282987e-10 5.243243e-10 5.20525e-10 5.168859999999999e-10 5.132071e-10 5.09416e-10 5.055056000000001e-10 5.014681e-10 4.972951e-10 4.929771e-10 4.885036e-10 4.838631000000001e-10 4.790426e-10 4.740276e-10 4.688016000000001e-10 4.633462e-10 4.5764030000000003e-10 4.5165990000000004e-10 4.45377e-10 4.3875950000000004e-10 4.317697e-10 4.243634e-10 4.1648750000000006e-10 4.080785e-10 3.9905910000000004e-10 3.893335e-10 3.787818e-10 3.672505e-10 3.5453880000000003e-10 3.403772e-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" [ 0.741738 1.04957 1.29386 1.51001 1.71843 1.91908 2.1001 2.25564 2.38781 2.50109 2.59958 2.68638 2.76377 2.83332 2.89597 2.95214 3.00181 3.04479 3.08085 3.10989 3.13196 3.14728 3.15617 3.15905 3.15602 3.1464 3.1293 3.10378 3.06884 3.02337 2.9662 2.89609 2.81178 2.71182 2.59359 2.45349 2.28687 2.08749 1.84695 1.55419 1.19516 0.752226 0.202061 -0.488984 -1.37108 -2.51529 -4.01968 -6.03164 -8.81197 -12.8249 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.188395292149892e-19 1.6815965297473797e-19 2.07299225966724e-19 2.41930273910634e-19 2.7532283931646195e-19 3.0747051347767196e-19 3.3647311490633995e-19 3.61393370271576e-19 3.82569338843154e-19 4.00718795753106e-19 4.16498633421372e-19 4.30405526604492e-19 4.42804771575018e-19 4.53947910064488e-19 4.63985546676498e-19 4.72984972829676e-19 4.809429841707539e-19 4.878291393436859e-19 4.9360658828589e-19 4.98259309231026e-19 5.01795313062264e-19 5.042498476655519e-19 5.05674182693178e-19 5.0613560956377e-19 5.05650150043668e-19 5.041088561217599e-19 5.0136913407762e-19 4.97280379307652e-19 4.916823741484559e-19 4.84397276993658e-19 4.7523763317707995e-19 4.64004772796106e-19 4.50496821594852e-19 4.344814639613879e-19 4.1553892961760596e-19 3.9309243497526597e-19 3.66396967899558e-19 3.3445277017086595e-19 2.9591401341663e-19 2.49008690279646e-19 1.91485742589144e-19 1.2051989206872838e-19 3.2373741284267394e-20 -7.83438739199856e-20 -2.19671233934472e-19 -4.0299388657338595e-19 -6.440237372157119e-19 -9.66375267269976e-19 -1.4118332433508979e-18 -2.05477551133866e-18 ] } }