{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.47096 5.104386 4.877198 4.712134 4.582414 4.475539 4.384655 4.305594 4.23563 4.172885 4.116007 4.063992 4.016074 3.971654 3.930257 3.891496 3.855056 3.820674 3.788131 3.75724 3.727841 3.699797 3.672988 3.64731 3.629829 3.611431 3.592014 3.57146 3.549625 3.526341 3.501401 3.474551 3.445474 3.413768 3.378909 3.340199 3.296682 3.246991 3.189082 3.119686 3.033088 2.91785 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.47096e-10 5.104386e-10 4.877198e-10 4.712134e-10 4.582414e-10 4.475539000000001e-10 4.3846550000000005e-10 4.3055940000000003e-10 4.2356299999999996e-10 4.172885e-10 4.1160069999999997e-10 4.063992e-10 4.0160739999999997e-10 3.971654e-10 3.930257e-10 3.891496e-10 3.855056e-10 3.820674e-10 3.788131e-10 3.75724e-10 3.7278410000000004e-10 3.699797e-10 3.6729880000000004e-10 3.64731e-10 3.629829e-10 3.611431e-10 3.592014e-10 3.57146e-10 3.549625e-10 3.526341e-10 3.501401e-10 3.474551e-10 3.445474e-10 3.4137680000000003e-10 3.3789090000000004e-10 3.340199e-10 3.296682e-10 3.246991e-10 3.1890820000000003e-10 3.1196860000000003e-10 3.033088e-10 2.91785e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0.0173355 0.648039 1.56265 2.34274 2.90545 3.26633 3.45965 3.57145 3.67009 3.75689 3.83293 3.89913 3.95625 4.00497 4.04584 4.07939 4.10605 4.12622 4.14026 4.14847 4.15115 4.14985 4.14558 4.13765 4.12521 4.10715 4.08201 4.04791 4.00226 3.94158 3.86093 3.75325 3.60658 3.38349 3.04181 2.53655 1.79469 0.653059 -1.33354 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 2.7774533038707e-21 1.0382729437207259e-19 2.5036413171201e-19 3.75348328753716e-19 4.6550441012553e-19 5.233237604933219e-19 5.542970391818099e-19 5.7220937394993e-19 5.88013244267706e-19 6.019201374508259e-19 6.14103088575762e-19 6.24709497892842e-19 6.3386113082624995e-19 6.41666935387098e-19 6.48215031290256e-19 6.535903338973259e-19 6.578617368035699e-19 6.610933270743479e-19 6.633427830684839e-19 6.646581700849979e-19 6.6508755342291e-19 6.6487927046049e-19 6.641951410377719e-19 6.6292461496701e-19 6.609315072343139e-19 6.580379762333099e-19 6.54010104175434e-19 6.48546681853494e-19 6.412327455192839e-19 6.315107377041719e-19 6.18589183150962e-19 6.013369451560499e-19 5.778378204651719e-19 5.42094861937266e-19 4.87351690706754e-19 4.0640011409727e-19 2.87541038327346e-19 1.0463158704234058e-19 -2.1365666285043597e-19 ] } }