{ "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" [ "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 8.24852 7.695838 7.353308 7.104441 6.908862 6.747728 6.610702 6.491502 6.386018 6.291417 6.205663 6.12724 6.054994 5.988023 5.925607 5.867168 5.812227 5.760391 5.711326 5.664752 5.620427 5.578145 5.537725 5.49901 5.472654 5.444916 5.415641 5.384651 5.351732 5.316627 5.279025 5.238543 5.194705 5.146901 5.094344 5.035982 4.970371 4.895453 4.808144 4.703515 4.572953 4.39921 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.248519999999999e-10 7.695838e-10 7.353308e-10 7.104440999999999e-10 6.908862e-10 6.747728000000001e-10 6.610702e-10 6.491502e-10 6.386018e-10 6.291417e-10 6.205663e-10 6.12724e-10 6.054994e-10 5.988023e-10 5.925607000000001e-10 5.867168e-10 5.812227e-10 5.760391e-10 5.711326e-10 5.664752e-10 5.620427000000001e-10 5.578145e-10 5.537725e-10 5.49901e-10 5.472654000000001e-10 5.444916e-10 5.415641e-10 5.384651e-10 5.351732e-10 5.316627e-10 5.279025e-10 5.238543e-10 5.194705e-10 5.146901e-10 5.094344e-10 5.035981999999999e-10 4.970371e-10 4.895453e-10 4.808144000000001e-10 4.703515000000001e-10 4.572953e-10 4.3992100000000003e-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" [ 0.0355463 0.146218 0.277875 0.402905 0.513225 0.607998 0.688652 0.7571 0.815549 0.865578 0.908415 0.945151 0.976666 1.00367 1.02674 1.04634 1.06284 1.07655 1.08772 1.09656 1.10322 1.10785 1.11055 1.11144 1.11101 1.10959 1.10695 1.1028 1.09673 1.08825 1.07665 1.06186 1.04225 1.01611 0.981143 0.933917 0.869185 0.778529 0.647592 0.449739 0.128925 -0.455168 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.695145081594305e-21 2.342670611401344e-20 4.452048285048e-20 6.45524971403424e-20 8.222770962100801e-20 9.741201810931585e-20 1.1033421342671618e-19 1.21300791960768e-19 1.306653540916819e-19 1.3868088350788225e-19 1.455441274984032e-19 1.5142988353257409e-19 1.564791431530253e-19 1.6080566089983362e-19 1.6450188236401922e-19 1.676421485407872e-19 1.7028573996510722e-19 1.72482324112224e-19 1.7427195539765762e-19 1.756882795304448e-19 1.7675532915989763e-19 1.77497136935328e-19 1.77929724622944e-19 1.7807231834219522e-19 1.7800342474750082e-19 1.7777591566734721e-19 1.7735294103945602e-19 1.76688037741824e-19 1.7571551653299842e-19 1.7435687075856e-19 1.7249834587843203e-19 1.7012872665626882e-19 1.6698685830288e-19 1.6279876861610882e-19 1.5719643762615744e-19 1.4962999831676737e-19 1.3925878861500482e-19 1.2473409624148032e-19 1.0375567622171136e-19 7.205613112619712e-20 2.0656062083664003e-20 -7.292595281362945e-20 ] } }