{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.44701 5.08204 4.855847 4.691505 4.562352 4.455945 4.365458 4.286743 4.217086 4.154615 4.097986 4.046199 3.998491 3.954265 3.913048 3.874457 3.838177 3.803946 3.771545 3.740789 3.711519 3.683597 3.656906 3.63134 3.613935 3.595618 3.576286 3.555821 3.534083 3.5109 3.486069 3.459337 3.430387 3.398819 3.364112 3.325572 3.282245 3.232772 3.175116 3.106023 3.019804 2.90507 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.44701e-10 5.08204e-10 4.855847e-10 4.691505e-10 4.562352e-10 4.455945e-10 4.3654580000000006e-10 4.2867430000000006e-10 4.217086e-10 4.154615e-10 4.097986e-10 4.0461989999999996e-10 3.998491e-10 3.954265e-10 3.913048e-10 3.874457e-10 3.838177e-10 3.803946e-10 3.771545e-10 3.7407890000000003e-10 3.711519e-10 3.683597e-10 3.6569060000000004e-10 3.63134e-10 3.613935e-10 3.595618e-10 3.576286e-10 3.555821e-10 3.534083e-10 3.5109e-10 3.4860690000000004e-10 3.459337e-10 3.4303870000000004e-10 3.398819e-10 3.364112e-10 3.325572e-10 3.282245e-10 3.2327720000000003e-10 3.175116e-10 3.106023e-10 3.0198040000000005e-10 2.90507e-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" [ 0.146727 0.999548 1.92883 2.75504 3.45367 4.03798 4.52912 4.94821 5.31513 5.65014 5.97289 6.30174 6.64901 7.00965 7.35723 7.66344 7.91853 8.12621 8.29334 8.42669 8.52047 8.59649 8.65834 8.72211 8.62374 8.50306 8.37427 8.23459 8.08357 7.9208 7.74514 7.55332 7.33893 7.09314 6.80609 6.46569 6.05215 5.53403 4.87251 3.99929 2.73951 0.933044 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.350825690401216e-20 1.6014524369673985e-19 3.090326331497664e-19 4.414060677368832e-19 5.533389329958336e-19 6.469557151257984e-19 7.256450176797696e-19 7.927906376808769e-19 8.515777022512705e-19 9.052522212246914e-19 9.569624716610111e-19 1.0096500498360193e-18 1.0652888373465408e-18 1.123069734999072e-18 1.1787581899848386e-18 1.2278184402903552e-18 1.2686883637103425e-18 1.3019623677711169e-18 1.3287395456345475e-18 1.3501045708729154e-18 1.3651297832227775e-18 1.377309529894099e-18 1.3872189922937474e-18 1.397436072604589e-18 1.3816754611857793e-18 1.3623403937259648e-18 1.3417059610266815e-18 1.3193267579873475e-18 1.2951306866600256e-18 1.269052057803264e-18 1.2409082232822914e-18 1.2101752713421057e-18 1.1758262067687746e-18 1.1364463076061313e-18 1.0904558277060672e-18 1.0359177355340353e-18 9.69661323557472e-19 8.866493484805825e-19 7.806621606614209e-19 6.407568937799232e-19 4.389178874447808e-19 1.4949012829777151e-19 ] } }