{ "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" [ 1.4152859223369218e-19 1.8906004560764163e-19 2.599563610780416e-19 2.816354129340864e-19 2.9829804979040645e-19 3.1159451356642562e-19 3.2246528193855363e-19 3.31498353726624e-19 3.390894665559744e-19 3.4551579698200325e-19 3.5098082143555206e-19 3.5563995104883845e-19 3.5961014471518085e-19 3.6298913520844803e-19 3.6584902047657607e-19 3.6825548976101764e-19 3.7025821053701764e-19 3.719020437499584e-19 3.7322063510887686e-19 3.742492324994304e-19 3.7501186857093125e-19 3.7553257597269125e-19 3.758321830007808e-19 3.759283135980288e-19 3.7588185047602564e-19 3.757328480502912e-19 3.7546047802475528e-19 3.7503750339686406e-19 3.744302784575808e-19 3.735987487913856e-19 3.724884403931712e-19 3.7102725531500165e-19 3.691206651362496e-19 3.666356891973888e-19 3.6339128154026884e-19 3.59119878669216e-19 3.5342253860565124e-19 3.456712081142208e-19 3.3481806368492164e-19 3.18977343435072e-19 2.9435028659675526e-19 2.519246496779712e-19 ] } }