{ "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" [ 7.19581 6.713665 6.41485 6.197746 6.027128 5.886558 5.767021 5.663033 5.571012 5.488485 5.413675 5.345262 5.282236 5.223812 5.169362 5.118381 5.070453 5.025232 4.982429 4.941799 4.903131 4.866245 4.830984 4.79721 4.763066 4.727881 4.691588 4.654117 4.615387 4.575311 4.533793 4.490725 4.445985 4.399441 4.350939 4.300307 4.247351 4.191846 4.133535 4.072118 4.007246 3.938507 3.865411 3.787368 3.703658 3.613395 3.515465 3.408442 3.290465 3.159032 3.010673 2.840377 2.64051 2.3986 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.19581e-10 6.713665e-10 6.414850000000001e-10 6.197746e-10 6.027128e-10 5.886558e-10 5.767021e-10 5.663033e-10 5.571011999999999e-10 5.488485e-10 5.413675e-10 5.345262e-10 5.282236000000001e-10 5.223812e-10 5.169362e-10 5.118381000000001e-10 5.070453e-10 5.025232e-10 4.982429e-10 4.941799e-10 4.903131e-10 4.866245e-10 4.830984e-10 4.79721e-10 4.763066e-10 4.727881e-10 4.691588000000001e-10 4.654117e-10 4.6153870000000004e-10 4.575311e-10 4.533793e-10 4.4907250000000005e-10 4.4459850000000003e-10 4.3994410000000005e-10 4.3509390000000005e-10 4.3003070000000003e-10 4.247351e-10 4.191846e-10 4.1335350000000006e-10 4.072118e-10 4.0072460000000006e-10 3.938507e-10 3.8654110000000003e-10 3.787368e-10 3.703658e-10 3.613395e-10 3.515465e-10 3.4084420000000003e-10 3.2904650000000004e-10 3.159032e-10 3.0106730000000004e-10 2.840377e-10 2.64051e-10 2.3986000000000004e-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" [ 0.883352 1.18002 1.62252 1.75783 1.86183 1.94482 2.01267 2.06905 2.11643 2.15654 2.19065 2.21973 2.24451 2.2656 2.28345 2.29847 2.31097 2.32123 2.32946 2.33588 2.34064 2.34389 2.34576 2.34636 2.34573 2.34371 2.34011 2.33469 2.32718 2.31726 2.30456 2.28864 2.26897 2.24492 2.21574 2.1805 2.1381 2.08716 2.02598 1.95241 1.86376 1.75656 1.62631 1.46707 1.27075 1.02618 0.717494 0.321473 -0.196939 -0.89301 -1.85868 -3.25856 -5.42066 -9.11735 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.415285933997168e-19 1.89060047165268e-19 2.5995636321976795e-19 2.81635415254422e-19 2.98298052248022e-19 3.1159451613358797e-19 3.22465284595278e-19 3.3149835645776997e-19 3.3908946934966196e-19 3.45515799828636e-19 3.5098082432721e-19 3.55639953978882e-19 3.5961014767793397e-19 3.6298913819904e-19 3.6584902349073e-19 3.6825549279499796e-19 3.7025821358749803e-19 3.7190204681398197e-19 3.73220638183764e-19 3.7424923558279195e-19 3.75011871660576e-19 3.7553257906662596e-19 3.7583218609718396e-19 3.7592831669522393e-19 3.75827379567282e-19 3.75503739887214e-19 3.74926956298974e-19 3.74058576563346e-19 3.7285534191121193e-19 3.71265982690284e-19 3.6923121836510396e-19 3.6668055316377596e-19 3.6352907172469796e-19 3.5967583691992798e-19 3.5500068550191595e-19 3.4935461504369994e-19 3.4256138611554e-19 3.3439989834194394e-19 3.24597781695132e-19 3.12810568198794e-19 2.98607272338384e-19 2.8143193882190396e-19 2.6056358816405397e-19 2.35050527444238e-19 2.0359659576554998e-19 1.64412161827812e-19 1.1495521218351958e-19 5.1505652906188196e-20 -3.15531064123326e-20 -1.43075975592834e-19 -2.9779336660831197e-19 -5.220788692487039e-19 -8.684854792858438e-19 -1.46076051339999e-18 ] } }