{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.6914 4.377059 4.182243 4.040699 3.929462 3.837815 3.759881 3.692085 3.632091 3.578286 3.529513 3.48491 3.443819 3.405729 3.37023 3.336992 3.305744 3.276262 3.248356 3.221866 3.196657 3.172608 3.149619 3.1276 3.11261 3.096833 3.080183 3.062558 3.043834 3.023868 3.002482 2.979457 2.954524 2.927335 2.897443 2.864249 2.826932 2.784322 2.734664 2.675156 2.600898 2.50208 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.6914e-10 4.377059e-10 4.182243e-10 4.040699e-10 3.929462e-10 3.837815e-10 3.7598810000000003e-10 3.692085e-10 3.632091e-10 3.578286e-10 3.529513e-10 3.48491e-10 3.443819e-10 3.405729e-10 3.37023e-10 3.336992e-10 3.305744e-10 3.276262e-10 3.248356e-10 3.221866e-10 3.196657e-10 3.172608e-10 3.149619e-10 3.1276e-10 3.1126100000000003e-10 3.0968330000000003e-10 3.080183e-10 3.0625580000000004e-10 3.043834e-10 3.023868e-10 3.002482e-10 2.979457e-10 2.9545240000000004e-10 2.927335e-10 2.897443e-10 2.864249e-10 2.8269319999999997e-10 2.784322e-10 2.7346640000000003e-10 2.675156e-10 2.600898e-10 2.50208e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ -0.389365 -0.511061 -0.272093 0.0339624 0.272251 0.451155 0.613891 0.776475 0.930614 1.06243 1.16403 1.23607 1.28524 1.32071 1.35198 1.38709 1.42834 1.47523 1.52519 1.57434 1.61842 1.65344 1.67607 1.68397 1.67991 1.66624 1.6405 1.5999 1.54147 1.46218 1.35933 1.23107 1.07714 0.899621 0.702932 0.476903 0.197272 -0.150734 -0.666155 -1.90827 -6.63257 -28.1375 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -6.23831499957792e-20 -8.188099860026689e-20 -4.359410432833344e-20 5.441376326625792e-21 4.3619418718942086e-20 7.22829993357024e-20 9.835618079195328e-20 1.24405009163568e-19 1.4910079937891713e-19 1.702200507236544e-19 1.864981651909824e-19 1.9804024556722561e-19 2.059181480116992e-19 2.116010684856768e-19 2.166110747789184e-19 2.2223631689454723e-19 2.288452954553472e-19 2.3635790163027843e-19 2.4436237602779524e-19 2.522370741190272e-19 2.592994686635136e-19 2.649102911895552e-19 2.685360168824256e-19 2.698017364128576e-19 2.691512527048128e-19 2.669610772641792e-19 2.6283707464224005e-19 2.5633223756179205e-19 2.469707195664576e-19 2.342670611401344e-19 2.177886745952064e-19 1.9723915725682562e-19 1.725768525328512e-19 1.441351733780717e-19 1.1262212164121856e-19 7.640828369893825e-20 3.1606458633845765e-20 -2.4150249075966723e-20 -1.0672979668290241e-19 -3.057385580174016e-19 -1.0626548589819457e-18 -4.508124466776e-18 ] } }