{ "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 4.774218 4.750019 4.724481 4.697446 4.668728 4.638103 4.6053 4.569985 4.531741 4.490038 4.444189 4.393275 4.336038 4.270681 4.194514 4.103239 3.98934 3.83777 ] "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 4.774218e-10 4.750019e-10 4.724481e-10 4.697446e-10 4.668728e-10 4.638103e-10 4.6053e-10 4.569985e-10 4.5317410000000006e-10 4.490038e-10 4.444189e-10 4.393275e-10 4.3360380000000006e-10 4.2706809999999997e-10 4.194514e-10 4.1032390000000004e-10 3.98934e-10 3.83777e-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 2.34607 2.34514 2.34344 2.3408 2.33701 2.33182 2.32489 2.31577 2.30387 2.28836 2.26811 2.24145 2.20589 2.15751 2.08977 1.9909 1.83719 1.57239 ] "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 3.75881853572838e-19 3.7573285114587596e-19 3.75460481118096e-19 3.7503750648672e-19 3.7443028154243393e-19 3.73598751869388e-19 3.72488443462026e-19 3.71027258371818e-19 3.6912066817735796e-19 3.6663569221802396e-19 3.63391284534174e-19 3.5911988162793e-19 3.53422541517426e-19 3.4567121096213394e-19 3.34818066443418e-19 3.1897734606305995e-19 2.94350289021846e-19 2.51924651753526e-19 ] } }