{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 8.48513 7.916594 7.564239 7.308233 7.107044 6.941287 6.800331 6.677711 6.569202 6.471888 6.383673 6.303001 6.228683 6.15979 6.095584 6.035468 5.978952 5.925628 5.875156 5.827246 5.78165 5.738155 5.696575 5.65675 5.629638 5.601104 5.57099 5.539111 5.505247 5.469135 5.430454 5.388811 5.343715 5.29454 5.240475 5.180439 5.112946 5.035879 4.946065 4.838435 4.704127 4.5254 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.48513e-10 7.916594e-10 7.564239e-10 7.308233000000001e-10 7.107044e-10 6.941287000000001e-10 6.800331e-10 6.677711000000001e-10 6.569202e-10 6.471888e-10 6.383673e-10 6.303001e-10 6.228683e-10 6.159790000000001e-10 6.095584e-10 6.035468e-10 5.978952e-10 5.925628e-10 5.875156e-10 5.827245999999999e-10 5.78165e-10 5.738155e-10 5.696575e-10 5.65675e-10 5.629638000000001e-10 5.601104000000001e-10 5.570990000000001e-10 5.539111e-10 5.505247e-10 5.469135e-10 5.430454e-10 5.388810999999999e-10 5.343715e-10 5.29454e-10 5.240475e-10 5.180439e-10 5.112946e-10 5.035879000000001e-10 4.946065e-10 4.838434999999999e-10 4.704127e-10 4.5254000000000007e-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 0 0 0 0.0347966 0.605779 1.50655 2.35419 2.94709 3.22623 3.32933 3.41941 3.49831 3.56711 3.62674 3.67797 3.72147 3.75783 3.78755 3.81108 3.82881 3.8411 3.84827 3.8506 3.84948 3.84578 3.83895 3.82825 3.81276 3.79129 3.76225 3.72355 3.67233 3.60458 3.51462 3.39402 3.22989 3.00143 2.67314 2.179 1.38165 -0.0591528 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 5.575029900332928e-21 9.705649511716032e-20 2.41375918806624e-19 3.771828178921152e-19 4.721758697393473e-19 5.168990279323585e-19 5.334174688928064e-19 5.478498758929728e-19 5.604910494310848e-19 5.715140245821889e-19 5.810678037720192e-19 5.892757546003777e-19 5.962452229008576e-19 6.020707370940864e-19 6.06832406011104e-19 6.106023275998465e-19 6.134429867485249e-19 6.15412061815488e-19 6.165608224526016e-19 6.16934129605248e-19 6.167546858237184e-19 6.161618804740224e-19 6.15067593842016e-19 6.1335326485776e-19 6.108714932721408e-19 6.074316200672832e-19 6.0277889916048e-19 5.96578475637984e-19 5.883721269862464e-19 5.775173803803264e-19 5.631041994996096e-19 5.437819494527616e-19 5.174854245755712e-19 4.808820974967744e-19 4.2828424121253123e-19 3.4911428567232e-19 2.2136473281283203e-19 -9.477323321485824e-21 ] } }