{ "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 5.5750299462644394e-21 9.705649591678858e-20 2.4137592079527e-19 3.7718282099964597e-19 4.72175873629506e-19 5.16899032190982e-19 5.334174732875219e-19 5.47849880406594e-19 5.604910540488539e-19 5.715140292907739e-19 5.81067808559316e-19 5.89275759455298e-19 5.96245227813198e-19 6.020707420544219e-19 6.0683241101067e-19 6.10602332630472e-19 6.13442991802554e-19 6.1541206688574e-19 6.165608275323179e-19 6.169341346880399e-19 6.167546909050319e-19 6.161618855504519e-19 6.1506759890942995e-19 6.1335326991105e-19 6.10871498304984e-19 6.07431625071786e-19 6.027789041266499e-19 5.9657848055307e-19 5.88372131833722e-19 5.77517385138372e-19 5.631042041389079e-19 5.437819539328679e-19 5.174854288390259e-19 4.80882101458662e-19 4.2828424474107596e-19 3.4911428854859993e-19 2.2136473463661e-19 -9.477323399567518e-21 ] } }