{ "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" [ "Sn" "Sn" ] } "a" { "source-value" [ 5.77572 5.388725 5.148882 4.974622 4.837676 4.724847 4.6289 4.545435 4.471574 4.405333 4.345287 4.290374 4.239787 4.192893 4.149189 4.108268 4.069799 4.033502 3.999146 3.966534 3.935498 3.905891 3.877588 3.85048 3.823075 3.794833 3.765703 3.735627 3.70454 3.672373 3.639049 3.60448 3.56857 3.531211 3.492281 3.451642 3.409137 3.364586 3.317782 3.268486 3.216417 3.161244 3.102573 3.039932 2.972743 2.900293 2.82169 2.735788 2.641094 2.535599 2.416519 2.279831 2.119409 1.92524 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.77572e-10 5.388725e-10 5.148882e-10 4.974622e-10 4.837676e-10 4.724847e-10 4.6289e-10 4.5454350000000004e-10 4.4715740000000003e-10 4.405333e-10 4.345287e-10 4.290374e-10 4.2397869999999997e-10 4.192893e-10 4.149189e-10 4.108268e-10 4.069799e-10 4.0335020000000007e-10 3.9991460000000004e-10 3.9665339999999997e-10 3.935498e-10 3.905891e-10 3.877588e-10 3.85048e-10 3.823075e-10 3.7948330000000004e-10 3.765703e-10 3.7356270000000003e-10 3.7045400000000003e-10 3.672373e-10 3.639049e-10 3.60448e-10 3.5685699999999997e-10 3.531211e-10 3.492281e-10 3.451642e-10 3.409137e-10 3.364586e-10 3.317782e-10 3.268486e-10 3.216417e-10 3.161244e-10 3.102573e-10 3.039932e-10 2.972743e-10 2.900293e-10 2.82169e-10 2.735788e-10 2.641094e-10 2.535599e-10 2.416519e-10 2.2798310000000003e-10 2.1194090000000002e-10 1.92524e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.577614 0.908514 1.18497 1.42388 1.6339 1.82034 1.98682 2.13596 2.26976 2.38978 2.49728 2.59333 2.67878 2.7544 2.82083 2.87863 2.92829 2.97026 3.00493 3.03265 3.05374 3.06849 3.07716 3.08 3.07692 3.06691 3.04864 3.02052 2.98063 2.92666 2.8558 2.7646 2.64887 2.50337 2.32163 2.09552 1.81476 1.46626 1.03312 0.493408 -0.181833 -1.03126 -2.10731 -3.48225 -5.25779 -7.58018 -10.6651 -14.8407 -20.6236 -28.864 -41.0352 -59.8655 -90.8601 -146.495 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.254396542712758e-20 1.455599902461876e-19 1.89853124599098e-19 2.28130726561992e-19 2.6177964022926e-19 2.91650621393556e-19 3.18323657996388e-19 3.4221852031586395e-19 3.63655643678784e-19 3.8288496764005197e-19 4.0010836645555195e-19 4.1549727302512194e-19 4.29187872362652e-19 4.4130353206896e-19 4.519467914486219e-19 4.61207372393142e-19 4.69163781557586e-19 4.75888116890484e-19 4.81442863280562e-19 4.8588409691001e-19 4.892630874311159e-19 4.91626297966266e-19 4.93015385107944e-19 4.93470403272e-19 4.929769328687279e-19 4.913731540580939e-19 4.884459773477759e-19 4.839406566529679e-19 4.77549574059942e-19 4.68902626766244e-19 4.5754960313772e-19 4.4293775223564e-19 4.24395762050358e-19 4.0108409202565795e-19 3.7196613387934194e-19 3.35739318007968e-19 2.90756606831784e-19 2.34920751136884e-19 1.65524072411808e-19 7.90526768628672e-20 -2.91328583890122e-20 -1.65226067557884e-19 -3.37628284259454e-19 -5.5791795837465e-19 -8.423908284478859e-19 -1.214478727751412e-18 -1.70873740192734e-18 -2.37774227722038e-18 -3.3042650028962396e-18 -4.6245226363776e-18 -6.57456386115168e-18 -9.591510528272698e-18 -1.455739291829034e-17 -2.3471086599783e-17 ] } }